SCHEMBL9503541

SCHEMBL9503541

CCCCCOc1ccc(Oc2ccc(CCl)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.66
NR5A1 Q13285 1/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
TP53 P04637 3/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 2/20 0.49
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
S1PR1 P21453 1/20 0.47
S1PR5 Q9H228 1/20 0.47

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
SCHEMBL9503567 0.96 LTA4H (0.63) LTA4HNR5A1NPC1RAB9ATP53
SCHEMBL6018241 0.94 NR5A1 (0.58) LTA4HNR5A1NPC1RAB9ATP53
SCHEMBL3051075 0.93 NR5A1 (0.61) LTA4HNR5A1NPC1RAB9ATP53
SCHEMBL3041460 0.93 NR5A1 (0.61) LTA4HNR5A1NPC1RAB9ATP53
SCHEMBL11081319 0.93 NR5A1 (0.61) LTA4HNR5A1NPC1RAB9ATP53
SCHEMBL3053786 0.93 NR5A1 (0.61) LTA4HNR5A1NPC1RAB9ATP53
SCHEMBL3046736 0.93 NR5A1 (0.61) LTA4HNR5A1NPC1RAB9ATP53
SCHEMBL9713418 0.93 NR5A1 (0.61) LTA4HNR5A1NPC1RAB9ATP53
SCHEMBL3045830 0.93 NR5A1 (0.61) LTA4HNR5A1NPC1RAB9ATP53
SCHEMBL3051340 0.93 NR5A1 (0.61) LTA4HNR5A1NPC1RAB9ATP53

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