SCHEMBL8303082

SCHEMBL8303082

CC(Oc1ccccc1)(Oc1ccc(C(F)(F)F)cn1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 8/20 0.49
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.45
CNR1 P21554 2/20 0.45
RAB9A P51151 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
HPGD P15428 1/20 0.44
CNR2 P34972 1/20 0.44
GAA P10253 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL11302900 0.83 PPARA (0.47) CNR1RAB9AMAPTKMT2A
SCHEMBL10696371 0.81 DGAT2 (0.42) CNR1GAAMAPTSMN1; SMN2
SCHEMBL201045 0.80 LMNA (0.50) LIPELMNACNR1RAB9AMRGPRX4
Hydrochloric Acid SCHEMBL199908 0.79 LMNA (0.49) LIPELMNACNR1RAB9AMRGPRX4
SCHEMBL11033799 0.78 MAPK1 (0.46) LIPELMNAMAPK1CNR1RAB9A
SCHEMBL8885466 0.78 RAB9A (0.55) LIPELMNAMAPK1RAB9AMRGPRX4
SCHEMBL8885530 0.78 MAPT (0.45) MRGPRX4GAAMAPTSMN1; SMN2
SCHEMBL1967963 0.77 TSHR (0.42) LMNACNR1CNR2GAACYP3A4
SCHEMBL10844188 0.77 TSHR (0.42) LMNACNR1CNR2GAACYP3A4
SCHEMBL1538043 0.76 PPARA (0.47) CYP3A4MAPTCYP2C9CYP2C19KMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-H1785-H PRE- AND POST-EMERGENCE HERBICIDE FMC CORPORATION (US) 1999-02-02 US disclosed
US-5861359-A WHEAT, SOYBEANS, CORN; PRE- AND POSTEMERGENCE HERBICIDES FMC CORPORATION (US) 1999-01-19 US disclosed
US-H1759-H NEW HERBICIDE MOLECULAR COMPRISING A RING SELECT FROM THE GROUP OF PYRIMIDINE, TRIAZOLE, PYRAZOLE, ISOINDOLE, THIADIAZOLO(3,4-A)PYRIDAZINE, TRIAZINE(1,2,4), INDAZOLE, TETRAZOLE, TRIAZOLE(4,3-A)PYRIDINE FMC CORPORATION (US) 1998-11-03 US disclosed
US-5798316-A GRASS OR BROADLEAF CONTROLLING AGENTS FMC CORPORATION 1998-08-25 US disclosed
US-5753595-A Herbicidal 3-(substituted benzoxazol-7-yl) and 3-(Substituted benzothiazol-7-yl)-1-substituted-6-trifluoromethyl-2 4-(1h 3h)pyrimidinediones FMC CORPORATION (US) 1998-05-19 US disclosed
US-5719102-A MIXING WITH NONOXYNOL CENEX/LAND O'LAKES AGRONOMY COMPANY (US) 1998-02-17 US disclosed
US-5710100-A ANTIDOTES WITH HERBICIDES FOR CROPS SUCH AS CORN MONSANTO COMPANY (US) 1998-01-20 US disclosed
US-5696056-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES; POTENTIATION MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-09 US disclosed
US-5683966-A Herbicidal 3-(substituted-benzyl)-1-methyl-6-trifluoromethyluracils FMC CORPORATION (US) 1997-11-04 US disclosed
US-5674810-A MIXTURE OF TWO HERBICIDES WITH DIFFERENT STRUCTURES, CARRIER FMC CORPORATION (US) 1997-10-07 US disclosed
US-5502025-A ANTIDOTES FOR HERBICIDES AND PLANT SAFTENING AGENTS MONSANTO COMPANY (US) 1996-03-26 US disclosed
EP-0028870-A1 Phenoxypyridine compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-05-20 EP disclosed