SCHEMBL20202290

SCHEMBL20202290

C=CC(=O)OCCc1ccc(NC)cc1NC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.41
TSHR P16473 6/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX5 P09917 3/20 0.32
THRA P10827 1/20 0.31
AKR1B10 O60218 1/20 0.31
AKR1B1 P15121 1/20 0.31
TGM2 P21980 1/20 0.31
MAP2K7 O14733 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL20202299 0.81 THRB (0.40) THRBTSHRALDH1A1
SCHEMBL20227396 0.81 THRB (0.39) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL24788139 0.79 THRB (0.46) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL21115682 0.75 THRB (0.43) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL16693316 0.74 THRB (0.45) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL21117560 0.73 THRB (0.36) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL9233293 0.71 THRB (0.42) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL12370889 0.70 THRB (0.55) THRBTSHRALDH1A1HPGDCYP3A4
SCHEMBL20925178 0.70 THRB (0.45) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL21004948 0.70 THRB (0.40) THRBTSHRALDH1A1TP53HIF1A

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-20180157174-A1 NEGATIVE TYPE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE TYPE PLANOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD OF PREPARING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2018-06-07 US disclosed
US-20180149975-A1 NEGATIVE TYPE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE TYPE PLANOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD OF PREPARING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2018-05-31 US disclosed