SCHEMBL9501783

SCHEMBL9501783

CCCCCCc1ccc(Oc2ccc(CCl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.52
ADRA2A P08913 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
TACR2 P21452 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
CYP3A4 P08684 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SHBG P04278 1/20 0.52
TP53 P04637 1/20 0.52
HSPD1 P10809 1/20 0.52
ADRB3 P13945 1/20 0.52
HTR2C P28335 1/20 0.52
HSPE1 P61604 1/20 0.52
HIF1A Q16665 1/20 0.52
TST Q16762 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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 0.98 THRB (0.49) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9502103 0.93 LTA4H (0.44) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL93802 0.91 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL5510956 0.91 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL27834007 0.91 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL8444312 0.91 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL173284 0.91 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9505414 0.91 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL941555 0.91 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL8052300 0.91 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2

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