SCHEMBL13537992

SCHEMBL13537992

Bc1ccc(/C(O)=C/C(=O)OCC)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP3A4 P08684 1/20 0.35
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA7 P43166 3/20 0.34
CA9 Q16790 3/20 0.34
CA14 Q9ULX7 3/20 0.34
TTR P02766 1/20 0.34
DPP4 P27487 1/20 0.34
POLB P06746 2/20 0.33
RAB9A P51151 2/20 0.33
PKM P14618 2/20 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
SCHEMBL12212629 0.83 DGAT1 (0.46) NPSR1MAPTKMT2AMEN1LMNA
SCHEMBL19203928 0.79 CA12 (0.50) MAPTKMT2AMEN1LMNACA12
SCHEMBL29699529 0.75 NPSR1 (0.46) NPSR1MAPTKMT2AMEN1LMNA
SCHEMBL22444180 0.75 NPSR1 (0.46) NPSR1MAPTKMT2AMEN1LMNA
SCHEMBL22444178 0.75 NPSR1 (0.46) NPSR1MAPTKMT2AMEN1LMNA
SCHEMBL31294436 0.74 CES2 (0.46) NPSR1MAPTKMT2AMEN1LMNA
SCHEMBL13537990 0.74 MIF (0.42) NPSR1MAPTKMT2AMEN1LMNA
SCHEMBL10188266 0.74 MEP1B (0.40) NPSR1MAPTKMT2AMEN1LMNA
SCHEMBL24047741 0.72 SMN1; SMN2 (0.44) NPSR1MAPTKMT2AMEN1CYP1A2
SCHEMBL10188264 0.71 NPSR1 (0.41) NPSR1MAPTKMT2AMEN1LMNA

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-2010004198-A2 ANTINEOPLASTIC DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-01-14 WO disclosed