SCHEMBL9710933

SCHEMBL9710933

N#Cc1ccc(C[C@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.56
PLAT P00750 2/20 0.53
PLAU P00749 1/20 0.51
KAT6A Q92794 2/20 0.49
CA2 P00918 1/20 0.49
GPR34 Q9UPC5 1/20 0.48
TPSAB1 Q15661 1/20 0.48
F2 P00734 3/20 0.47
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
F10 P00742 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
LSS P48449 1/20 0.44

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
SCHEMBL9665279 0.90 PLAT (0.58) CTSSPLATPLAUKAT6ACA2
SCHEMBL7300647 0.86 MMP2 (0.61) KAT6AF2MMP2MMP9CNR1
SCHEMBL9710605 0.86 MMP2 (0.61) KAT6AF2MMP2MMP9CNR1
SCHEMBL3419341 0.83 F2 (0.60) PLATPLAUKAT6ACA2TPSAB1
SCHEMBL3057528 0.83 F2 (0.60) PLATPLAUKAT6ACA2TPSAB1
SCHEMBL9495641 0.83 PLAT (0.54) CTSSPLATPLAUKAT6ACA2
SCHEMBL9710396 0.81 CTSS (0.56) CTSSPLATPLAUCA2F2
SCHEMBL9710936 0.81 MME (0.51) CTSSKAT6ACA2GPR34F2
SCHEMBL3089218 0.80 KAT6A (0.51) CTSSKAT6AF2CNR1CNR2
Piperidine SCHEMBL7370685 0.79 F2 (0.53) PLATPLAUKAT6ACA2F2

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