SCHEMBL19730199

SCHEMBL19730199

C=CC(=O)OCc1ccc(-c2ccccc2-c2ccc(COC(=O)C=C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.47
THRB P10828 2/20 0.45
LMNA P02545 1/20 0.45
AKR1B10 O60218 2/20 0.42
AKR1B1 P15121 2/20 0.42
CA12 O43570 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
ALDH1A1 P00352 5/20 0.41
TGM2 P21980 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL19730238 0.94 AKR1B10 (0.48) HCAR2THRBLMNAAKR1B10AKR1B1
SCHEMBL19730230 0.89 THRB (0.47) HCAR2THRBLMNAAKR1B10AKR1B1
SCHEMBL2435314 0.88 HCAR2 (0.53) HCAR2THRBLMNAAKR1B10AKR1B1
SCHEMBL19730236 0.88 THRB (0.46) HCAR2THRBLMNAAKR1B10AKR1B1
SCHEMBL19730219 0.88 THRB (0.46) HCAR2THRBLMNAAKR1B10AKR1B1
SCHEMBL19730254 0.88 THRB (0.46) HCAR2THRBLMNAAKR1B10AKR1B1
SCHEMBL16125662 0.88 HCAR2 (0.46) HCAR2THRBLMNAAKR1B10AKR1B1
SCHEMBL12367978 0.88 HCAR2 (0.46) HCAR2THRBLMNAAKR1B10AKR1B1
SCHEMBL2556244 0.86 HCAR2 (0.50) HCAR2THRBLMNAAKR1B10AKR1B1
SCHEMBL9419668 0.84 TSHR (0.47) HCAR2THRBLMNAAKR1B10AKR1B1

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-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
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