SCHEMBL9820726

SCHEMBL9820726

CC(Oc1ccc(-c2ccc(C(F)(F)F)cn2)cc1O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.47
PTGDR2 Q9Y5Y4 4/20 0.45
PPARD Q03181 4/20 0.42
PPARA Q07869 2/20 0.42
KIF11 P52732 1/20 0.41
TDO2 P48775 2/20 0.40
IDO1 P14902 1/20 0.40
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
P2RX7 Q99572 1/20 0.38
SYK P43405 1/20 0.38
MCHR1 Q99705 1/20 0.38
DGAT1 O75907 2/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
MGLL Q99685 1/20 0.37

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
SCHEMBL10838777 1.00 ABCB11 (0.47) ABCB11PTGDR2PPARDPPARAKIF11
SCHEMBL10387602 0.90 KIF11 (0.40) ABCB11PTGDR2PPARDPPARAKIF11
SCHEMBL10637876 0.87 POLB (0.47) PTGDR2PPARDKIF11TDO2IDO1
SCHEMBL11368966 0.84 KIF11 (0.43) ABCB11KIF11TDO2IDO1P2RX7
SCHEMBL11205455 0.84 ABCB11 (0.47) ABCB11PTGDR2PPARDPPARATDO2
SCHEMBL11388460 0.84 PPARD (0.42) PTGDR2PPARDPPARAKIF11TDO2
SCHEMBL9371133 0.84 PPARD (0.39) PTGDR2PPARDPPARAKIF11P2RX7
SCHEMBL10646401 0.83 POLB (0.37) PTGDR2PPARDPPARAKIF11TDO2
SCHEMBL10513431 0.82 TSHR (0.51) PTGDR2PPARDPPARAP2RX7
SCHEMBL11434428 0.82 TSHR (0.39) PTGDR2PPARA

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
EP-0215733-B1 PYRIDYLOXYPHENOXYPROPIONIC ACID DERIVATIVES SANDOZ AG (CH) 1989-06-21 EP claimed
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 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-0023100-B1 HERBICIDAL COMPOSITIONS COMPRISING A DIPHENYL ETHER COMPOUND IN ADMIXTURE WITH ANOTHER HERBICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-10 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
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
US-4778914-A FOR HALOGENATED DIPHENYL ETHER HERBICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-18 US disclosed
EP-0122037-B1 SUBSTITUTED DIPHENYLETHER COMPOUNDS USEFUL AS HERBICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-08-19 EP disclosed
EP-0066976-B1 ARYLSULPHONYL UREA DERIVATIVES; THEIR USE AS HERBICIDES; AND HERBICIDAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-05-13 EP disclosed
US-4661148-A Pent-2-en-4-on-2-yl 2-(4-(5-trifluoromethyl-2-pyridinyloxy)phenoxy)propanoate useful for increasing recoverable sugar in sugar cane SANDOZ LTD. (CH) 1987-04-28 US disclosed
EP-0063873-A1 Haloalkoxy-substituted diphenyl ethers; their use as herbicides and in herbicidal compositions and processes of making them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-03 EP disclosed
EP-0063411-A1 Substituted methanephoshonic acid derivatives, their use as herbicides, herbicidal compositions containing them, and processes for preparing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-10-27 EP disclosed
EP-0028870-A1 Phenoxypyridine compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-05-20 EP disclosed
US-4267336-A BY REACTING A 2-PHENOXYPYRIDINE DERIVATIVE WITH A 4-HYDROXYPHENOXYALKANECARBOXYLIC ACID DERIVATIVE ISHIHARA SANGYO KAISHA LTD. (JP) 1981-05-12 US disclosed
EP-0023100-A1 Herbicidal compositions comprising a diphenyl ether compound in admixture with another herbicide IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-28 EP disclosed
US-4246419-A SULFONAMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-01-20 US disclosed