SCHEMBL9502785

SCHEMBL9502785

ClCc1ccc(Oc2ccc3c(c2)CCC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
RXRB P28702 4/20 0.46
RXRA P19793 3/20 0.46
RXRG P48443 3/20 0.46
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
STS P08842 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
HRH3 Q9Y5N1 3/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL9502151 0.98 ALOX15 (0.46) MAPK14NPC1RAB9ARXRBRXRA
SCHEMBL31312960 0.83 STS (0.59) MAPK14NPC1RAB9ARXRBRXRA
SCHEMBL27415227 0.83 STS (0.53) NPC1RAB9ARXRBRXRARXRG
SCHEMBL922124 0.83 ST14 (0.58) MAPK14NPC1RAB9ARXRBRXRA
SCHEMBL13922867 0.81 NPC1 (0.48) MAPK14NPC1RAB9ARXRBRXRA
SCHEMBL922347 0.81 ST14 (0.60) MAPK14NPC1RAB9ARXRBRXRA
SCHEMBL1466332 0.79 RXRB (0.42) NPC1RAB9ARXRBRXRARXRG
SCHEMBL12472400 0.78 HRH3 (0.62) MAPK14NPC1RAB9ARXRBRXRA
SCHEMBL21758061 0.78 HRH3 (0.62) MAPK14NPC1RAB9ARXRBRXRA
SCHEMBL30299250 0.78 HRH3 (0.62) MAPK14NPC1RAB9ARXRBRXRA

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