SCHEMBL9502761

SCHEMBL9502761

CCCCCc1ccc(Oc2ccc(CCl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.49
ALDH1A1 P00352 3/20 0.48
ESR1 P03372 2/20 0.48
ADRA2A P08913 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
TACR2 P21452 2/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
LMNA P02545 2/20 0.48
CYP3A4 P08684 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SHBG P04278 1/20 0.48
TP53 P04637 1/20 0.48
HSPD1 P10809 1/20 0.48
ADRB3 P13945 1/20 0.48
HTR2C P28335 1/20 0.48
HSPE1 P61604 1/20 0.48
HIF1A Q16665 1/20 0.48
TST Q16762 1/20 0.48

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
SCHEMBL9501783 0.98 ESR1 (0.52) THRBALDH1A1ESR1ADRA2AADORA3
SCHEMBL9502103 0.94 LTA4H (0.44) THRBALDH1A1ESR1ADRA2AADORA3
SCHEMBL475118 0.90 ALDH1A1 (0.57) THRBALDH1A1ESR1ADRA2AADORA3
SCHEMBL9505414 0.88 ESR1 (0.61) THRBALDH1A1ESR1ADRA2AADORA3
SCHEMBL5510956 0.88 ESR1 (0.61) THRBALDH1A1ESR1ADRA2AADORA3
SCHEMBL27834007 0.88 ESR1 (0.61) THRBALDH1A1ESR1ADRA2AADORA3
SCHEMBL8444312 0.88 ESR1 (0.61) THRBALDH1A1ESR1ADRA2AADORA3
SCHEMBL173284 0.88 ESR1 (0.61) THRBALDH1A1ESR1ADRA2AADORA3
SCHEMBL8052300 0.88 ESR1 (0.61) THRBALDH1A1ESR1ADRA2AADORA3
SCHEMBL941555 0.88 ESR1 (0.61) THRBALDH1A1ESR1ADRA2AADORA3

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