SCHEMBL9503567

SCHEMBL9503567

CCCCOc1ccc(Oc2ccc(CCl)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.63
TSHR P16473 1/20 0.51
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
CYP2D6 P10635 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
PDE4A P27815 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NR5A1 Q13285 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL9503541 0.96 LTA4H (0.66) LTA4HTSHRRAB9ANPC1NR5A1
SCHEMBL2995440 0.94 TSHR (0.56) LTA4HTSHRRAB9ANPC1CYP2D6
SCHEMBL9505729 0.92 LTA4H (0.61) LTA4HTSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL6018241 0.90 NR5A1 (0.58) LTA4HTSHRRAB9ANPC1NR5A1
SCHEMBL3045830 0.89 NR5A1 (0.61) LTA4HTSHRRAB9ANPC1NR5A1
SCHEMBL3051075 0.89 NR5A1 (0.61) LTA4HTSHRRAB9ANPC1NR5A1
SCHEMBL9713418 0.89 NR5A1 (0.61) LTA4HTSHRRAB9ANPC1NR5A1
SCHEMBL3053786 0.89 NR5A1 (0.61) LTA4HTSHRRAB9ANPC1NR5A1
SCHEMBL3041460 0.89 NR5A1 (0.61) LTA4HTSHRRAB9ANPC1NR5A1
SCHEMBL3046736 0.89 NR5A1 (0.61) LTA4HTSHRRAB9ANPC1NR5A1

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