SCHEMBL9502776

SCHEMBL9502776

CCCOc1ccc(Oc2ccc(CCl)cc2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.42
LTA4H P09960 1/20 0.41
CSNK2A1 P68400 2/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ACACB O00763 2/20 0.37
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
GPR55 Q9Y2T6 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
SCHEMBL9502793 0.82 ACACB (0.44) TTRACACBALDH1A1
SCHEMBL9504922 0.81 TTR (0.46) TTR
SCHEMBL9505729 0.81 LTA4H (0.61) LTA4HMAPTLMNAL3MBTL1ACACB
SCHEMBL10733889 0.79 SKP2 (0.47) TTR
SCHEMBL28832127 0.79 PPARG (0.47) LTA4HCSNK2A1MAPTTP53PTGS1
SCHEMBL9505726 0.79 ACACB (0.49) TTRLTA4HMAPTACACBALDH1A1
SCHEMBL2417808 0.79 LMNA (0.53) LTA4HMAPTLMNAL3MBTL1ALDH1A1
SCHEMBL16866482 0.76 TUBB4A (0.50) LTA4HMAPTPTGS1PTGS2PPARG
SCHEMBL10604603 0.74 ACACB (0.43) LTA4HMAPTTP53PTGS1PTGS2
SCHEMBL9507872 0.74 NQO1 (0.54) LTA4HMAPTTP53LMNATDP1

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