SCHEMBL14742604

SCHEMBL14742604

CC(C)Cc1ccc(O)c(C=O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.59
GABRA1 P14867 1/20 0.58
GABRB2 P47870 1/20 0.58
ERN1 O75460 7/20 0.47
ALOX15 P16050 3/20 0.47
ALOX12 P18054 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ESR1 P03372 2/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
RECQL P46063 2/20 0.47
KMT2A Q03164 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 2/20 0.47
NR3C1 P04150 2/20 0.47
FOS P01100 2/20 0.47

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
SCHEMBL28986692 0.86 TYR (0.56) CDK1GABRA1GABRB2ALOX15ALOX12
SCHEMBL14870835 0.83 CDK1 (0.53) CDK1GABRA1GABRB2ERN1ALOX15
SCHEMBL4876552 0.83 CDK1 (0.53) CDK1GABRA1GABRB2ERN1ALOX15
SCHEMBL9220976 0.83 CDK1 (0.65) CDK1GABRA1GABRB2ERN1KDM4E
SCHEMBL305074 0.79 CDK1 (0.65) CDK1ERN1ALOX15ALOX12KDM4E
SCHEMBL22057183 0.79 CDK1 (0.51) CDK1GABRA1GABRB2ERN1ALOX15
SCHEMBL283097 0.79 CDK1 (0.69) CDK1ERN1ESR1NT5E
SCHEMBL19757236 0.79 CDK1 (0.81) CDK1ERN1ALOX15IGF1RNT5E
SCHEMBL19497429 0.79 GABRA1 (0.41) CDK1GABRA1GABRB2MEN1ALDH1A1
SCHEMBL11775240 0.78 CDK1 (0.50) CDK1GABRA1GABRB2ERN1ALOX15

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
WO-2013032776-A1 ALUMINUM SUBSTRATES AND LITHOGRAPHIC PRINTING PLATE PRECURSORS EASTMAN KODAK COMPANY (US) 2013-03-07 WO disclosed