SCHEMBL7585288

SCHEMBL7585288

COC(=O)C=CC#N.N#CC=CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.60
NFE2L2 Q16236 2/20 0.50
KEAP1 Q14145 1/20 0.50
ALDH1A1 P00352 4/20 0.44
ALOX15 P16050 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TYR P14679 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL2489132 0.91
SCHEMBL35480 0.91
SCHEMBL2243992 0.91
SCHEMBL8799194 0.83
SCHEMBL10423 0.83
SCHEMBL17912275 0.83 TSHR (0.47) HCAR2ALDH1A1TDP1TSHRMEN1
SCHEMBL996827 0.83
Ammonia Solution, Strong SCHEMBL28313820 0.81
SCHEMBL11460249 0.81
Ammonia Solution, Strong SCHEMBL28308995 0.81

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-20020018752-A1 Polymerizable compositions and methods of use STRYKER EUROPEAN HOLDINGS III, LLC 2002-02-14 US disclosed