SCHEMBL3101485

SCHEMBL3101485

CCCCCCC(=O)C(=NOC(=O)c1ccccc1)c1ccc(Sc2ccccc2CC)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
PTGS2 P35354 3/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL3104270 0.90 CES2 (0.43) CES2CES1PTGS2SMN1; SMN2CDK5
SCHEMBL3089883 0.90 CES2 (0.39) CES2CES1PTGS2MMP2MMP9
SCHEMBL3085331 0.90 CES2 (0.48) CES2CES1PTGS2HPGDSMN1; SMN2
SCHEMBL30256817 0.84 CES2 (0.43) CES2CES1PTGS2MMP2MMP9
SCHEMBL3092789 0.82 CES2 (0.41) CES2CES1PTGS2CDK5CDK5R1
SCHEMBL3101515 0.80 CES2 (0.46) CES2CES1PTGS2HPGD
SCHEMBL3085494 0.80 CES2 (0.39) CES2CES1PTGS2
SCHEMBL30726171 0.79 CES2 (0.61) CES2CES1PTGS2MMP2MMP9
SCHEMBL28648010 0.77 ALDH1A1 (0.39) CES2CES1PTGS2HPGDSMN1; SMN2
SCHEMBL30726172 0.77 HSD17B3 (0.54) CES2CES1MAPT

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