SCHEMBL9505764

SCHEMBL9505764

CC(C)Sc1ccc(Oc2ccc(CCl)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
CHRM2 P08172 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LTA4H P09960 1/20 0.32
SLC2A1 P11166 1/20 0.32
AR P10275 1/20 0.32
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
RAB9A P51151 1/20 0.31
PTGIR P43119 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL20300154 0.89 SLC6A4 (0.36) ALDH1A1MEN1KMT2ACHRM2SMN1; SMN2
SCHEMBL17968401 0.84 AR (0.39) ALDH1A1MEN1KMT2AACACBACACA
SCHEMBL9502046 0.79 SLC6A4 (0.43) MEN1KMT2ARAB9ASLC6A4
SCHEMBL9503477 0.79 ALDH1A1 (0.39) TTRALDH1A1RAB9ASLC6A4
SCHEMBL1338731 0.78 ST14 (0.48) TTRALDH1A1MEN1KMT2AST14
SCHEMBL8551187 0.78 ST14 (0.48) TTRALDH1A1MEN1KMT2AST14
SCHEMBL9501765 0.76 SLC6A4 (0.44) TTRALDH1A1ST14SMN1; SMN2LTA4H
SCHEMBL9502730 0.76 IDO1 (0.47) TTRALDH1A1ACACBACACASMN1; SMN2
SCHEMBL21972707 0.76 LMNA (0.36) ALDH1A1MEN1KMT2AACACBACACA
SCHEMBL9502129 0.76 POLB (0.50) ALDH1A1MEN1KMT2AACACBACACA

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