SCHEMBL9501795

SCHEMBL9501795

CCCC(C)c1ccc(Oc2ccc(CCl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 6/20 0.39
ACACB O00763 5/20 0.39
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
NPBWR1 P48145 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
FFAR1 O14842 1/20 0.33
TTR P02766 1/20 0.33

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
SCHEMBL6643275 0.89 ESR1 (0.39) TSHRESR1ESR2
SCHEMBL9502746 0.86 ALDH1A1 (0.46) ACACAACACBALDH1A1TSHRNPBWR1
SCHEMBL27629258 0.83 FFAR1 (0.43) FFAR1
SCHEMBL18745964 0.82 ALDH1A1 (0.49) ACACAALDH1A1TSHRNPBWR1RAB9A
SCHEMBL19736611 0.81 LTA4H (0.52) ACACAACACBALDH1A1TSHR
SCHEMBL9502730 0.80 IDO1 (0.47) ACACAACACBALDH1A1NPBWR1RAB9A
SCHEMBL9141663 0.79 ALDH1A1 (0.50) ALDH1A1TSHRRAB9ANPC1
SCHEMBL10737250 0.78 FFAR1 (0.39) ACACAACACBNPBWR1FFAR1TTR
SCHEMBL14274071 0.76 ESR1 (0.41) TSHRESR1ESR2
SCHEMBL9746668 0.75 RIPK1 (0.43) ESR1ESR2

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