SCHEMBL9503489

SCHEMBL9503489

CCCCSc1cccc(Oc2ccc(CCl)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.43
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TTR P02766 1/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AR P10275 1/20 0.36
FAAH O00519 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
CETP P11597 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9501883 0.92 TTR (0.41) LTA4HMAOAMAOBTTRHTT
SCHEMBL9505718 0.86 TTR (0.43) LTA4HMAOATTRHTTMAPT
SCHEMBL9503534 0.86 MAOA (0.50) LTA4HMAOAMAOBLMNAAR
SCHEMBL9503547 0.81 MAOA (0.45) LTA4HMAOAMAOBLMNAAR
SCHEMBL9505733 0.81 LTA4H (0.57) LTA4HACACBACACAALDH1A1KDM4E
SCHEMBL9505086 0.80 TTR (0.42) LTA4HTTRHTTLMNAMAPT
SCHEMBL9503480 0.79 LTA4H (0.59) LTA4HACACBACACAALDH1A1KDM4E
SCHEMBL9504980 0.78 LTA4H (0.58) LTA4HACACBACACA
SCHEMBL9505014 0.77 TTR (0.38) LTA4HTTRHTTMAPTTDP1
SCHEMBL9503139 0.76 MAOA (0.47) LTA4HMAOAMAOBTTRAR

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