SCHEMBL3089883

SCHEMBL3089883

CCCCCCC(=O)C(=NOC(C)=O)c1ccc(Sc2ccccc2CC)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
PTGS2 P35354 7/20 0.38
CETP P11597 1/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP12 P39900 2/20 0.35
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
MMP14 P50281 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
SCHEMBL3101485 0.90 CES2 (0.43) CES2CES1PTGS2MMP2MMP9
SCHEMBL3085494 0.90 CES2 (0.39) CES2CES1PTGS2CETP
SCHEMBL3101515 0.88 CES2 (0.46) CES2CES1PTGS2HPGD
SCHEMBL30256817 0.86 CES2 (0.43) CES2CES1PTGS2CETPMMP2
SCHEMBL30726171 0.81 CES2 (0.61) CES2CES1PTGS2CETPMMP2
SCHEMBL3104270 0.80 CES2 (0.43) CES2CES1PTGS2
SCHEMBL3095828 0.79 CES2 (0.34) CES2CES1
SCHEMBL3085331 0.78 CES2 (0.48) CES2CES1PTGS2HPGD
SCHEMBL30726172 0.78 HSD17B3 (0.54) CES2CES1CETP
SCHEMBL31486532 0.75 KDM4E (0.47) CES2CES1CETPCYP2C9HPGD

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-20100253888-A1 Colored composition, color filter and method of manufacturing the same TOPPAN PRINTING CO., LTD. (JP) 2010-10-07 US disclosed