SCHEMBL19730201

SCHEMBL19730201

C=CC(=O)OCCCCCc1ccc(-c2cccc(-c3ccc(CCCCCOC(=O)C=C)cc3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 1/20 0.51
THRB P10828 2/20 0.45
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
HPGD P15428 1/20 0.41
MGLL Q99685 2/20 0.40
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL19730216 0.95 ALDH1A1 (0.46) TSHRALDH1A1CYP3A4THRBHDAC1
SCHEMBL19730228 0.95 ALDH1A1 (0.46) TSHRALDH1A1CYP3A4THRBHDAC1
SCHEMBL29315894 0.92 ALDH1A1 (0.54) TSHRALDH1A1CYP3A4THRBHDAC1
SCHEMBL29315898 0.92 ALDH1A1 (0.54) TSHRALDH1A1CYP3A4THRBHDAC1
SCHEMBL21242234 0.92 TSHR (0.61) TSHRALDH1A1CYP3A4THRBHDAC1
SCHEMBL21242530 0.92 TSHR (0.61) TSHRALDH1A1CYP3A4THRBHDAC1
SCHEMBL13506252 0.92 TSHR (0.61) TSHRALDH1A1CYP3A4THRBHDAC1
SCHEMBL19730231 0.91 THRB (0.43) TSHRALDH1A1CYP3A4THRBHDAC1
SCHEMBL29315889 0.90 THRB (0.55) TSHRALDH1A1CYP3A4THRBHDAC1
SCHEMBL21242266 0.90 TSHR (0.59) TSHRALDH1A1CYP3A4THRBHDAC1

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