SCHEMBL9233293

SCHEMBL9233293

C=CC(=O)OCCc1occc1NC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.42
TSHR P16473 6/20 0.41
ALDH1A1 P00352 4/20 0.41
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.38
CYP3A4 P08684 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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 0.71 THRB (0.41) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL24788139 0.71 THRB (0.46) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL21714525 0.69 THRB (0.51) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL9806249 0.68 TSHR (0.59) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL21115682 0.68 THRB (0.43) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL17914469 0.67 TSHR (0.53) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL30740701 0.67 THRB (0.38) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL11316113 0.67 THRB (0.38) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL16693316 0.67 THRB (0.45) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL16753038 0.67 THRB (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523152-A Organic compounds suitable as reactive diluents, and binder precursor compositions including same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-06-04 US disclosed