SCHEMBL9505715

SCHEMBL9505715

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

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 1/20 0.32
LTA4H P09960 2/20 0.32
TTR P02766 1/20 0.31
KCNH2 Q12809 1/20 0.31
PPARG P37231 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL9503639 0.84 CETP (0.39) ALDH1A1TSHR
SCHEMBL6161958 0.78 ALDH1A1 (0.47) LTA4HKCNH2ALDH1A1TSHREPHX2
SCHEMBL8551187 0.77 ST14 (0.48) ST14LTA4HTTRALDH1A1TSHR
SCHEMBL1338731 0.77 ST14 (0.48) ST14LTA4HTTRALDH1A1TSHR
SCHEMBL9503463 0.74 PPARG (0.40) ST14PPARGALDH1A1
SCHEMBL9501816 0.74 ALDH1A1 (0.34) ST14LTA4HTTRKCNH2PPARG
SCHEMBL2072044 0.71 LTA4H (0.46) ST14LTA4HEPHX2
SCHEMBL1008825 0.71 ALDH1A1 (0.51) ALDH1A1TSHREPHX2
SCHEMBL1451649 0.71 MAPK14 (0.48) LTA4HALDH1A1EPHX2
SCHEMBL7911757 0.70 ALDH1A1 (0.54) ALDH1A1TSHR

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