SCHEMBL7465402

SCHEMBL7465402

CC(C)(CCc1ccc(C#N)cc1)OC(=O)N(Cc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.40
PPARD Q03181 2/20 0.40
SNCA P37840 2/20 0.40
NSD2 O96028 1/20 0.39
EPHX2 P34913 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
TMEM97 Q5BJF2 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOB P27338 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
PRSS1 P07477 1/20 0.36
CTSG P08311 1/20 0.36

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
SCHEMBL6424007 0.85 NSD2 (0.43) SNCANSD2EPHX2SIGMAR1TMEM97
SCHEMBL1009189 0.80 NSD2 (0.45) SNCANSD2EPHX2CHRM2CHRM1
SCHEMBL7401773 0.76 HTT (0.51) SNCANSD2SIGMAR1TMEM97MMP12
SCHEMBL7465397 0.73 TSHR (0.44) NSD2EPHX2MAOBPOLBMAPT
SCHEMBL18677419 0.72 PPARA (0.48) PPARAPPARDEPHX2MMP12MMP13
SCHEMBL23013509 0.71 XDH (0.38)
SCHEMBL7233237 0.70 NSD2 (0.53) PPARAPPARDSNCANSD2EPHX2
SCHEMBL17701291 0.69 NSD2 (0.48) SNCANSD2EPHX2SIGMAR1TMEM97
SCHEMBL18301296 0.69 CACNA1H (0.38)
SCHEMBL5028368 0.69 HRH3 (0.45) PPARAPPARDNSD2EPHX2SIGMAR1

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-2000032574-A1 NOVEL 2-PYRIDONE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2000-06-08 WO disclosed