SCHEMBL9503480

SCHEMBL9503480

CCCCCOc1cccc(Oc2ccc(CCl)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.59
TSHR P16473 1/20 0.51
PLA2G4B P0C869 3/20 0.48
ACACB O00763 1/20 0.47
ACACA Q13085 1/20 0.47
GPBAR1 Q8TDU6 2/20 0.45
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
KDM4E B2RXH2 2/20 0.45
GGPS1 O95749 1/20 0.44
SMPD1 P17405 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL9504980 0.99 LTA4H (0.58) LTA4HTSHRPLA2G4BACACBACACA
SCHEMBL9505733 0.97 LTA4H (0.57) LTA4HTSHRPLA2G4BACACBACACA
SCHEMBL9505726 0.91 ACACB (0.49) LTA4HACACBACACAGPBAR1CYSLTR1
SCHEMBL9503541 0.88 LTA4H (0.66) LTA4HTSHR
SCHEMBL9502738 0.84 LTA4H (0.55) LTA4HACACBACACAKDM4EALDH1A1
SCHEMBL17905721 0.84 LTA4H (0.77) LTA4HTSHRPLA2G4BGPBAR1CYSLTR2
SCHEMBL9503567 0.84 LTA4H (0.63) LTA4HTSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL9487103 0.84 LTA4H (0.68) LTA4HTSHRPLA2G4BACACBACACA
SCHEMBL921904 0.83 ST14 (0.59) LTA4HTSHRACACBACACAKDM4E
SCHEMBL12967962 0.82 LTA4H (0.79) LTA4HTSHRPLA2G4BACACBACACA

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