SCHEMBL9502103

SCHEMBL9502103

CCCCc1ccc(Oc2ccc(CCl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.44
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
THRB P10828 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL9502761 0.94 THRB (0.49) LTA4HALDH1A1HSD17B10THRBSMN1; SMN2
SCHEMBL9501783 0.93 ESR1 (0.52) ALDH1A1HSD17B10THRBSMN1; SMN2ESR1
SCHEMBL145761 0.90 LTA4H (0.52) LTA4HCA2CA1S1PR1S1PR3
SCHEMBL9501778 0.88 ALDH1A1 (0.51) LTA4HCA2ALDH1A1THRBRAB9A
SCHEMBL1006989 0.88 CA2 (0.54) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL9503567 0.85 LTA4H (0.63) LTA4HALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL16933886 0.84 RARB (0.55) LTA4HCA2CA1S1PR1S1PR3
SCHEMBL475118 0.84 ALDH1A1 (0.57) LTA4HALDH1A1HSD17B10THRBSMN1; SMN2
SCHEMBL12341170 0.82 IGF1R (0.47) LTA4HCA2CA1S1PR1S1PR3
SCHEMBL5614714 0.82 LTA4H (0.66) LTA4HALDH1A1HSD17B10HPGD

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