SCHEMBL9710936

SCHEMBL9710936

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.51
ACE P12821 5/20 0.51
CPA1 P15085 4/20 0.51
ACE2 Q9BYF1 4/20 0.51
CA2 P00918 3/20 0.51
GPR34 Q9UPC5 1/20 0.45
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
CA1 P00915 1/20 0.42
F2 P00734 2/20 0.41
KAT6A Q92794 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
FCER2 P06734 1/20 0.41

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
SCHEMBL8823969 0.84 CA2 (0.56) MMEACECPA1ACE2CA2
SCHEMBL7300647 0.81 MMP2 (0.61) MMP2MMP9F2KAT6A
SCHEMBL9710605 0.81 MMP2 (0.61) MMP2MMP9F2KAT6A
SCHEMBL9710933 0.81 CTSS (0.56) MMEACECPA1ACE2CA2
SCHEMBL9710415 0.81 CTSS (0.43) F2CTSBCTSSCTSK
SCHEMBL9710396 0.81 CTSS (0.56) MMEACECPA1ACE2CA2
SCHEMBL8954732 0.80 CA2 (0.43) MMEACECPA1ACE2CA2
SCHEMBL9664076 0.79 PLG (0.56)
SCHEMBL3089218 0.77 KAT6A (0.51) F2KAT6ACTSS
SCHEMBL8954628 0.73 F10 (0.50) CA2F2

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