SCHEMBL9820875

SCHEMBL9820875

CC(Oc1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
ABCB11 O95342 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
GLA P06280 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10387030 0.93 TSHR (0.39) MAPK1PTGDR2KMT2AMEN1ALDH1A1
SCHEMBL10388787 0.92 MAPK1 (0.44) MAPK1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10386448 0.91 MAPK1 (0.51) MAPK1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10693531 0.91 ALDH1A1 (0.44) MAPK1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10387640 0.89 MEN1 (0.48) MAPK1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9804348 0.88 ABCB11 (0.43) PTGDR2KMT2AMEN1ABCB11TSHR
SCHEMBL9804459 0.88 ABCB11 (0.43) PTGDR2KMT2AMEN1ABCB11TSHR
SCHEMBL11566682 0.87 KMT2A (0.42) MAPK1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9763694 0.85 TSHR (0.47) MAPK1PTGDR2KMT2AALDH1A1SMN1; SMN2
SCHEMBL6732935 0.85 TSHR (0.47) MAPK1PTGDR2KMT2AALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0133033-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ARYLOXYPROPIONIC ACIDS AND DERIVATIVES THEREOF IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-23 EP claimed
EP-0133034-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ARYLOXYPROPIONIC ACIDS AND DERIVATIVES THEREOF USEFUL AS HERBICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-04-18 EP claimed
US-4568641-A CONTACTING ENANTIOMER MIXTURE WITH INVERTING ENZYME IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-02-04 US claimed
US-4565782-A Process for producing optically active aryloxypropionic acids and derivatives thereof useful as herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-21 US claimed
EP-0133034-A2 Process for producing optically active aryloxypropionic acids and derivatives thereof useful as herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-02-13 EP claimed
EP-0133033-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ARYLOXYPROPIONIC ACIDS AND DERIVATIVES THEREOF IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-23 EP disclosed
US-4925947-A AGRICULTURAL USE, SENSITIVE TO CROPS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-15 US disclosed
EP-0133034-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ARYLOXYPROPIONIC ACIDS AND DERIVATIVES THEREOF USEFUL AS HERBICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-04-18 EP disclosed
EP-0001473-B1 HERBICIDAL HALOGENOMETHYL--PYRIDYLOXY-PHENOXY-ALKANECARBOXYLIC ACIDS AND DERIVATIVES, AND PROCESSES OF CONTROLLING UNWANTED PLANTS THEREWITH IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-27 EP disclosed
EP-0272654-A2 Herbicide composition S.I.P.C.A.M. S.p.A. Società Italiana Prodotti Chimici e per l'Agricoltura Milano (IT) 1988-06-29 EP disclosed
US-4753673-A GRASSY WEEDS THE DOW CHEMICAL COMPANY (US) 1988-06-28 US disclosed
EP-0003877-B1 HERBICIDAL DERIVATIVES OF 2-(4(2-PYRIDYLOXY)PHENOXY)PROPANE, PROCESSES FOR PREPARING THEM, AND HERBICIDAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-02-03 EP disclosed
US-4302242-A Herbicidal mono- or di-substituted-2-pyridinyloxy-phenoxy-lower-alkane-carbamates IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-11-24 US disclosed
EP-0028870-A1 Phenoxypyridine compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-05-20 EP disclosed
US-4246419-A SULFONAMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-01-20 US disclosed
EP-0021453-A2 2-Chloro-5-trichloromethylpyridine IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-07 EP disclosed
WO-1979000624-A1 HERBICIDAL DERIVATIVES OF 2-(4(2-PYRIDYLOXY)PHENOXY)PROPANE,PROCESSES FOR PREPARING THEM,AND HERBICIDAL COMPOSITIONS CONTAINING THEM ICI LTD (GB) 1979-09-06 WO disclosed
EP-0003877-A1 Herbicidal derivatives of 2-(4(2-pyridyloxy)phenoxy)propane, processes for preparing them, and herbicidal compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-09-05 EP disclosed
EP-0003648-A2 4-Aryloxy-substituted phenoxypropionamide derivatives useful as herbicides, compositions containing them, and processes for making them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-08-22 EP disclosed
EP-0001473-A2 Herbicidal halogenomethyl--pyridyloxy-phenoxy-alkanecarboxylic acids and derivatives, and processes of controlling unwanted plants therewith IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-04-18 EP disclosed