SCHEMBL9505718

SCHEMBL9505718

CCSc1cccc(Oc2ccc(CCl)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.43
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
NLRP1 Q9C000 1/20 0.36
NOD2 Q9HC29 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
LTA4H P09960 2/20 0.35
SLC6A4 P31645 1/20 0.35
MAOA P21397 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.33
CYP1A2 P05177 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
SCHEMBL9501883 0.88 TTR (0.41) TTRALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL9503489 0.86 LTA4H (0.43) TTRALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL11336113 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EMEN1MAPT
SCHEMBL9505086 0.84 TTR (0.42) TTRALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL9501765 0.84 SLC6A4 (0.44) TTRALDH1A1SMN1; SMN2ST14LTA4H
SCHEMBL9505014 0.81 TTR (0.38) TTRALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL8549352 0.80 ALDH1A1 (0.54) TTRALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL10737028 0.78 CETP (0.46) TTRALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL9502073 0.78 ALDH1A1 (0.48) TTRALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL32670495 0.77 LPAR1 (0.45) TTRALDH1A1SMN1; SMN2MEN1MITF

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