SCHEMBL21900941

SCHEMBL21900941

OCc1ccc(/C(=C\c2ccc(N(c3ccc(CO)cc3)c3ccc(CO)cc3)cc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.46
CYP19A1 P11511 3/20 0.45
CYP11B2 P19099 2/20 0.45
PTGS2 P35354 5/20 0.43
CYP2D6 P10635 1/20 0.43
ESR2 Q92731 2/20 0.42
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5949564 1.00 ESR1 (0.46) ESR1CYP19A1CYP11B2PTGS2CYP2D6
SCHEMBL25976541 1.00 ESR1 (0.46) ESR1CYP19A1CYP11B2PTGS2CYP2D6
SCHEMBL278974 0.98 CYP19A1 (0.46) ESR1CYP19A1CYP11B2PTGS2CYP2D6
SCHEMBL14174015 0.97 ESR1 (0.46) ESR1CYP19A1CYP11B2PTGS2CYP2D6
SCHEMBL10049949 0.94 ESR1 (0.47) ESR1CYP19A1CYP11B2PTGS2CYP2D6
SCHEMBL2605488 0.93 PTGS2 (0.52) ESR1CYP19A1CYP11B2PTGS2CYP2D6
SCHEMBL12618570 0.93 ESR1 (0.54) ESR1CYP19A1CYP11B2PTGS2CYP2D6
SCHEMBL13055135 0.92 PTGS2 (0.51) ESR1CYP19A1CYP11B2PTGS2CYP2D6
SCHEMBL14174017 0.89 ESR1 (0.43) ESR1CYP19A1CYP11B2PTGS2CYP2D6
SCHEMBL863225 0.88 PTGS2 (0.40) ESR1CYP19A1CYP11B2PTGS2CYP2D6

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-10935898-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2021-03-02 US disclosed
US-20200124996-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2020-04-23 US disclosed