SCHEMBL19730243

SCHEMBL19730243

C=CC(=O)OCCCCc1ccc(-c2cc(CC)cc(-c3ccc(COC(=O)C=C)cc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 8/20 0.45
▸ TSHR P16473 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MET P08581 3/20 0.39
▸ AKR1B10 O60218 2/20 0.39
▸ AKR1B1 P15121 2/20 0.39
▸ NAAA Q02083 1/20 0.39
▸ THRA P10827 5/20 0.39
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RARB P10826 3/20 0.36

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
SCHEMBL19730203 0.88 TSHR (0.41) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL19738183 0.88 THRB (0.43) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL14028722 0.88 TSHR (0.54) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL19730228 0.86 ALDH1A1 (0.46) THRBTSHRALDH1A1CYP3A4AKR1B10
SCHEMBL19730216 0.86 ALDH1A1 (0.46) THRBTSHRALDH1A1CYP3A4AKR1B10
SCHEMBL19730206 0.84 MET (0.44) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL19730225 0.84 AKR1B1 (0.42) THRBTSHRALDH1A1CYP3A4MET
SCHEMBL19730235 0.84 THRB (0.43) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL19730250 0.83 THRB (0.40) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL19730241 0.83 AKR1B10 (0.45) THRBTSHRHPGDALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170364025-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS FOR PRODUCING ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, AND ELECTROPHOTOGRAPHIC APPARATUS AND PROCESS CARTRIDGE INCLUDING ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER CANON KABUSHIKI KAISHA (JP) 2017-12-21 — — US disclosed
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