SCHEMBL9505733

SCHEMBL9505733

CCCCOc1cccc(Oc2ccc(CCl)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.57
ACACB O00763 2/20 0.49
ACACA Q13085 2/20 0.49
TSHR P16473 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.46
PLA2G4B P0C869 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43

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 0.97 LTA4H (0.59) LTA4HACACBACACATSHRKDM4E
SCHEMBL9504980 0.96 LTA4H (0.58) LTA4HACACBACACATSHRPLA2G4B
SCHEMBL9505726 0.94 ACACB (0.49) LTA4HACACBACACAKDM4EALDH1A1
SCHEMBL9502738 0.87 LTA4H (0.55) LTA4HACACBACACAKDM4EALDH1A1
SCHEMBL9503567 0.87 LTA4H (0.63) LTA4HTSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL9487103 0.87 LTA4H (0.68) LTA4HACACBACACATSHRKDM4E
SCHEMBL921904 0.86 ST14 (0.59) LTA4HACACBACACATSHRKDM4E
SCHEMBL12967962 0.85 LTA4H (0.79) LTA4HACACBACACATSHRKDM4E
SCHEMBL8549352 0.85 ALDH1A1 (0.54) LTA4HKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL9503541 0.83 LTA4H (0.66) LTA4HTSHRKMT2A

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