SCHEMBL14501807

SCHEMBL14501807

CCOC(=O)C(CC)CC(C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
TRPA1 O75762 4/20 0.50
MMP8 P22894 1/20 0.49
PPARG P37231 2/20 0.48
EPHX2 P34913 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.46
PIN1 Q13526 1/20 0.45
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
PPARA Q07869 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL15827673 0.85 CHRM2 (0.47) NPC1TRPA1TSHRALDH1A1SMN1; SMN2
SCHEMBL1716855 0.83 TRPA1 (0.56) MEN1KMT2ATRPA1PPARG
SCHEMBL12228633 0.81 TRPA1 (0.54) MEN1KMT2ATRPA1PPARG
SCHEMBL14033301 0.80 TRPA1 (0.53) MEN1KMT2ATRPA1
SCHEMBL13142529 0.80 CHRM1 (0.43) MEN1KMT2ANPC1TRPA1ALDH1A1
SCHEMBL14523149 0.80 NPC1 (0.43) KMT2ANPC1TRPA1TSHRALDH1A1
SCHEMBL12858496 0.79 TRPA1 (0.45) NPC1TRPA1TSHRALDH1A1SMN1; SMN2
SCHEMBL14383427 0.79 HPGD (0.43) TRPA1PPARGEPHX2TSHRALDH1A1
SCHEMBL12311409 0.78 MMP8 (0.47) MEN1KMT2ANPC1TRPA1MMP8
SCHEMBL13172465 0.78 TDP1 (0.43) MEN1KMT2ANPC1TRPA1HSD17B10

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-7220537-B2 Silver halide emulsion silver halide photographic sensitive material and method of image formation KONICA MINOLTA PHOTO IMAGING, INC. (JP) 2007-05-22 US disclosed