SCHEMBL2374640

SCHEMBL2374640

COC(=O)O/N=C(/C)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.47
CES1 P23141 6/20 0.47
TSHR P16473 1/20 0.46
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 6/20 0.42
PKM P14618 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
XBP1 P17861 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL2374643 1.00 CES2 (0.47) CES2CES1TSHRKMT2AL3MBTL1
SCHEMBL194894 0.84 CES2 (0.52) CES2CES1TSHRKMT2AL3MBTL1
SCHEMBL194893 0.84 CES2 (0.52) CES2CES1TSHRKMT2AL3MBTL1
SCHEMBL9900249 0.84 CES2 (0.52) CES2CES1TSHRKMT2AL3MBTL1
SCHEMBL195165 0.82 KMT2A (0.62) CES2CES1TSHRKMT2AL3MBTL1
SCHEMBL195166 0.82 KMT2A (0.62) CES2CES1TSHRKMT2AL3MBTL1
SCHEMBL20278523 0.82 KMT2A (0.62) CES2CES1TSHRKMT2AL3MBTL1
SCHEMBL8205667 0.82 MAPT (0.59) TSHRL3MBTL1MAPTPKMCDK5
SCHEMBL14667474 0.82 MAPT (0.59) TSHRL3MBTL1MAPTPKMCDK5
SCHEMBL195607 0.82 ALDH1A1 (0.50) CES2CES1TSHRKMT2AL3MBTL1

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
EP-2366748-A2 Ink composition and recording method Seiko Epson Corporation (JP) 2011-09-21 EP disclosed