SCHEMBL9755819

SCHEMBL9755819

COC(=O)[C@H](Cc1ccccc1)C(=O)CC#N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.49
MMP8 P22894 1/20 0.47
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
MCL1 Q07820 1/20 0.45
PPARG P37231 2/20 0.45
PPARD Q03181 2/20 0.45
PPARA Q07869 2/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MME P08473 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9755821 1.00 ANPEP (0.49) ANPEPMMP8CTSSCTSKCTSL
SCHEMBL9755811 0.84 MDM2 (0.50) CTSSCTSKCTSLCTSBMCL1
SCHEMBL1442737 0.82 MMP8 (0.58) MMP8PPARGPPARDPPARAATM
SCHEMBL5452680 0.81 MMP8 (0.55) MMP8PPARGPPARDPPARAATM
SCHEMBL391783 0.81 PPARG (0.61) MMP8PPARGPPARDPPARAATM
SCHEMBL8287672 0.81 PPARG (0.61) MMP8PPARGPPARDPPARAATM
SCHEMBL5143613 0.80 MMP8 (0.50) MMP8PPARGPPARDPPARAATM
SCHEMBL7270701 0.79 MMP8 (0.55) MMP8PPARGPPARDPPARAATM
SCHEMBL1259770 0.78 MMP8 (0.54) MMP8PPARGPPARDPPARAATM
SCHEMBL9755276 0.77 ATM (0.59) ANPEPCTSSCTSLCTSBATM

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-1991005763-A1 DIPEPTIDE-ANALOG-BASED METALLOENDOPEPTIDASE INHIBITORS AND METHODS OF USING SAME THE SALK INSTITUTE BIOTECHNOLOGY/INDUSTRIAL ASSOCIATES, INC. (US) 1991-05-02 WO disclosed