SCHEMBL20202299

SCHEMBL20202299

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HTT P42858 2/20 0.36
APEX1 P27695 1/20 0.36
TSHR P16473 3/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL20202290 0.81 THRB (0.41) THRBTSHRALDH1A1
SCHEMBL24788142 0.79 THRB (0.45) THRBPOLBTDP1HTTAPEX1
SCHEMBL16693298 0.73 SMN1; SMN2 (0.50) POLBTDP1TSHRSMN1; SMN2ALDH1A1
SCHEMBL16661819 0.72 THRB (0.41) THRBPOLBTDP1HTTAPEX1
SCHEMBL7788779 0.71 THRB (0.44) THRBPOLBTDP1HTTAPEX1
SCHEMBL16661818 0.71 TDP1 (0.47) THRBPOLBTDP1HTTAPEX1
SCHEMBL18194799 0.70 THRB (0.46) THRBPOLBTDP1HTTAPEX1
SCHEMBL20006565 0.70 TKT (0.38) TDP1TSHRCA2GAASMN1; SMN2
SCHEMBL24788342 0.70 L3MBTL1 (0.41) THRBPOLBTDP1HTTAPEX1
SCHEMBL28404226 0.70 THRB (0.45) THRBPOLBTDP1HTTAPEX1

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