SCHEMBL9504980

SCHEMBL9504980

CCCCCCOc1cccc(Oc2ccc(CCl)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.58
TSHR P16473 1/20 0.54
PLA2G4B P0C869 4/20 0.50
ACACB O00763 1/20 0.46
ACACA Q13085 1/20 0.46
GGPS1 O95749 2/20 0.46
SMPD1 P17405 3/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.44

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
SCHEMBL9503480 0.99 LTA4H (0.59) LTA4HTSHRPLA2G4BACACBACACA
SCHEMBL9505733 0.96 LTA4H (0.57) LTA4HTSHRPLA2G4BACACBACACA
SCHEMBL9505726 0.90 ACACB (0.49) LTA4HACACBACACAGPBAR1
SCHEMBL9503541 0.86 LTA4H (0.66) LTA4HTSHRNPC1RAB9A
SCHEMBL9502738 0.83 LTA4H (0.55) LTA4HACACBACACA
SCHEMBL10672644 0.83 TSHR (0.61) TSHRPLA2G4BGGPS1SMPD1
SCHEMBL8291351 0.83 TSHR (0.61) TSHRPLA2G4BGGPS1SMPD1
SCHEMBL17905721 0.83 LTA4H (0.77) LTA4HTSHRPLA2G4BSMPD1GPBAR1
SCHEMBL3045830 0.83 NR5A1 (0.61) LTA4HTSHRPLA2G4BNPC1RAB9A
SCHEMBL3051075 0.83 NR5A1 (0.61) LTA4HTSHRPLA2G4BNPC1RAB9A

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