SCHEMBL9989473

SCHEMBL9989473

COC(=O)[C@H](COCc1cccc(C#N)c1)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.43
TACR1 P25103 1/20 0.43
MAOB P27338 1/20 0.42
CTSS P25774 1/20 0.41
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PPARA Q07869 2/20 0.39
MDM4 O15151 1/20 0.39
MDM2 Q00987 1/20 0.39
VNN1 O95497 1/20 0.39
LMNA P02545 2/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP13 P45452 1/20 0.39
GPR34 Q9UPC5 1/20 0.39
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
ANPEP P15144 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9989472 1.00 NLRP3 (0.43) NLRP3TACR1MAOBCTSSFFAR1
SCHEMBL9989103 0.86 PPARA (0.42) CTSSFFAR1FFAR4PPARAMDM4
SCHEMBL9989100 0.86 PPARA (0.42) CTSSFFAR1FFAR4PPARAMDM4
SCHEMBL1774142 0.85 PPARA (0.50) CTSSPPARAMDM4MDM2LMNA
SCHEMBL9989812 0.85 PPARA (0.50) CTSSPPARAMDM4MDM2LMNA
SCHEMBL9989804 0.84 CHRM3 (0.48) TACR1MDM4MDM2MEN1ALDH1A1
SCHEMBL9989802 0.84 CHRM3 (0.48) TACR1MDM4MDM2MEN1ALDH1A1
SCHEMBL17491970 0.83 GPR34 (0.44) NLRP3VNN1LMNAGPR34MEN1
SCHEMBL17491972 0.83 GPR34 (0.44) NLRP3VNN1LMNAGPR34MEN1
SCHEMBL17492142 0.78 MMP2 (0.44) MAOBLMNAMEN1ALDH1A1KMT2A

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-2011159781-A2 BITTER TASTE MODULATORS SENOMYX, INC. (US) 2011-12-22 WO disclosed