SCHEMBL19730225

SCHEMBL19730225

C=CC(=O)OCCCc1ccc(-c2cccc(-c3cc(CCOC(=O)C=C)cc(-c4cccc(-c5ccc(COC(=O)C=C)cc5)c4)c3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 6/20 0.42
▸ AKR1B10 O60218 5/20 0.42
▸ MGLL Q99685 2/20 0.39
▸ THRB P10828 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MET P08581 3/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA4 P22748 2/20 0.37
▸ CA6 P23280 2/20 0.37
▸ CA5A P35218 2/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CA14 Q9ULX7 2/20 0.37
▸ CA5B Q9Y2D0 2/20 0.37
▸ HCAR2 Q8TDS4 1/20 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
SCHEMBL19730223 0.98 AKR1B1 (0.43) AKR1B1AKR1B10MGLLTHRBNPC1
SCHEMBL19730212 0.95 AKR1B10 (0.45) AKR1B1AKR1B10MGLLTHRBNPC1
SCHEMBL19730203 0.95 TSHR (0.41) AKR1B1AKR1B10THRBALDH1A1CYP3A4
SCHEMBL19730241 0.95 AKR1B10 (0.45) AKR1B1AKR1B10MGLLTHRBNPC1
SCHEMBL19730237 0.93 THRB (0.43) AKR1B1AKR1B10MGLLTHRBNPC1
SCHEMBL19730242 0.93 THRB (0.44) AKR1B1AKR1B10MGLLTHRBNPC1
SCHEMBL19738373 0.91 AKR1B10 (0.41) AKR1B1AKR1B10MGLLTHRBALDH1A1
SCHEMBL19730216 0.91 ALDH1A1 (0.46) AKR1B1AKR1B10MGLLTHRBNPC1
SCHEMBL19730228 0.91 ALDH1A1 (0.46) AKR1B1AKR1B10MGLLTHRBNPC1
SCHEMBL19730235 0.90 THRB (0.43) AKR1B1AKR1B10THRBALDH1A1CYP3A4

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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