SCHEMBL9710396

SCHEMBL9710396

CC(C)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.56
CTSK P43235 8/20 0.56
CTSL P07711 7/20 0.56
CTSB P07858 4/20 0.56
F2 P00734 2/20 0.51
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
MME P08473 4/20 0.47
ACE P12821 4/20 0.47
CPA1 P15085 3/20 0.47
ACE2 Q9BYF1 3/20 0.47
POLB P06746 1/20 0.47
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
PLAT P00750 1/20 0.47
LARS1 Q9P2J5 1/20 0.46
CA2 P00918 1/20 0.45

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
SCHEMBL9710605 0.88 MMP2 (0.61) F2CNR1CNR2MMP2MMP9
SCHEMBL7300647 0.88 MMP2 (0.61) F2CNR1CNR2MMP2MMP9
SCHEMBL9710933 0.81 CTSS (0.56) CTSSF2CNR1CNR2MMP2
SCHEMBL7983901 0.81 F2 (0.55) F2CNR1CNR2MMP2MMP9
SCHEMBL9710936 0.81 MME (0.51) CTSSCTSKCTSLCTSBF2
SCHEMBL5138984 0.80 KDM4E (0.61) F2MMP2MMP9POLBLARS1
SCHEMBL15251693 0.80 KDM4E (0.61) F2MMP2MMP9POLBLARS1
SCHEMBL5138976 0.80 KDM4E (0.61) F2MMP2MMP9POLBLARS1
SCHEMBL7021869 0.80 F2 (0.64) F2CNR1CNR2PLGPLAT
SCHEMBL8489662 0.80 F2 (0.64) F2CNR1CNR2PLGPLAT

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-1992016549-A1 PARASUBSTITUTED PHENYLALANINE DERIVATES PENTAPHARM AG (CH) 1992-10-01 WO disclosed