SCHEMBL20733441

SCHEMBL20733441

C=C(C)C(=O)OCCc1ccc(N(c2ccc(C)cc2)c2ccc(CCOC(=O)C(C)C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 3/20 0.35
POLB P06746 2/20 0.34
RAB9A P51151 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
CHRM5 P08912 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
CTDSP1 Q9GZU7 1/20 0.32

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
SCHEMBL9915741 0.92 THRB (0.45) CA1CA2THRBTSHRPOLB
SCHEMBL13839851 0.92 THRB (0.45) CA1CA2THRBTSHRPOLB
SCHEMBL14981836 0.91 THRB (0.44) CA1CA2THRBTSHRPOLB
SCHEMBL2609796 0.89 THRB (0.42) CA1CA2THRBTSHRPOLB
SCHEMBL14981546 0.87 THRB (0.50) CA1CA2THRBTSHRPOLB
SCHEMBL2602481 0.86 EPHX2 (0.40) CA1CA2THRBTSHRPOLB
SCHEMBL14179008 0.86 POLB (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL2602558 0.86 THRB (0.49) CA1CA2THRBTSHRPOLB
SCHEMBL2609800 0.85 CA1 (0.41) CA1CA2THRBTSHRPOLB
SCHEMBL14124705 0.85 TSHR (0.45) CA1CA2THRBTSHRPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10365569-B2 Electrophotographic photosensitive member, production method of electrophotographic photosensitive member, process cartridge and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2019-07-30 US disclosed
US-20190049867-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PRODUCTION METHOD OF ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2019-02-14 US disclosed