SCHEMBL9503639

SCHEMBL9503639

FC(F)C(F)(F)Oc1ccc(Oc2ccc(CCl)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CETP P11597 16/20 0.39
PTGES2 Q9H7Z7 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL9505715 0.84 ST14 (0.32) ALDH1A1TSHR
SCHEMBL6161958 0.83 ALDH1A1 (0.47) CETPALDH1A1TSHR
SCHEMBL9474226 0.82 ST14 (0.55) CETPPTGES2HCRTR1HCRTR2
SCHEMBL7911757 0.82 ALDH1A1 (0.54) CETPPTGES2HCRTR1HCRTR2TRPV1
SCHEMBL9501816 0.79 ALDH1A1 (0.34) CETPALDH1A1TSHR
SCHEMBL8551187 0.78 ST14 (0.48) ALDH1A1TSHR
SCHEMBL1907911 0.78 ALDH1A1 (0.48) CETPPTGES2HCRTR1HCRTR2TRPV1
SCHEMBL1338731 0.78 ST14 (0.48) ALDH1A1TSHR
SCHEMBL1008825 0.77 ALDH1A1 (0.51) ALDH1A1TSHR
SCHEMBL9337302 0.76 TSHR (0.44) CETPPTGES2HCRTR1HCRTR2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186190-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-26 EP disclosed
EP-0132606-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-07 EP disclosed
US-4663339-A Acaricidal and insecticidal substituted 1-phenylalkylbenzimidazoles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-05-05 US disclosed
US-4612323-A Insecticidal and acaricidal derivatives of 1-benzylbenzimidazole SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-09-16 US disclosed
EP-0186190-A2 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-07-02 EP disclosed
EP-0132606-A1 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-02-13 EP disclosed