SCHEMBL18720153

SCHEMBL18720153

C=C(C)C(=O)OCNC(=O)n1nc(C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.42
ENPP3 O14638 5/20 0.40
ALPL P05186 5/20 0.40
XIAP P98170 5/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL272665 0.87 TSHR (0.41) TSHRALDH1A1L3MBTL1MEN1CYP1A2
SCHEMBL13732897 0.84 THRB (0.41) TSHRALDH1A1L3MBTL1MEN1CYP1A2
SCHEMBL13898472 0.77 TSHR (0.48) TSHRALDH1A1L3MBTL1MEN1CYP1A2
SCHEMBL13898659 0.75 TSHR (0.47) TSHRALDH1A1L3MBTL1MEN1CYP1A2
SCHEMBL3810000 0.72 ASAH1 (0.60) TSHRALDH1A1L3MBTL1MEN1CYP1A2
SCHEMBL273285 0.71 TSHR (0.41) TSHRALDH1A1L3MBTL1MEN1CYP1A2
SCHEMBL17853352 0.71 TSHR (0.53) TSHRALDH1A1L3MBTL1MEN1CYP1A2
SCHEMBL19483230 0.71 TSHR (0.50) TSHRALDH1A1L3MBTL1MEN1CYP1A2
SCHEMBL4853630 0.70 TSHR (0.46) TSHRALDH1A1L3MBTL1MEN1CYP1A2
SCHEMBL24218338 0.69 ASAH1 (0.43) TSHRALDH1A1L3MBTL1MEN1CYP1A2

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-20170101497-A1 PROTEIN ADHESION INHIBITOR ASAHI GLASS COMPANY, LIMITED (JP) 2017-04-13 US disclosed