SCHEMBL9787701

SCHEMBL9787701

Cc1c(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c(=O)oc2cc(N)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.46
CTSS P25774 4/20 0.46
CTSK P43235 3/20 0.46
CTSB P07858 2/20 0.46
CTSL P07711 1/20 0.46
EPHX2 P34913 1/20 0.45
AKT1 P31749 1/20 0.45
PKM P14618 1/20 0.45
KLK5 Q9Y337 1/20 0.44
SLC10A1 Q14973 1/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.42
MAP1LC3A Q9H492 1/20 0.42
REN P00797 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 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
SCHEMBL3366170 0.81 PKM (0.42) PKMSLC10A1KMT2AMEN1NFKB1
SCHEMBL9787704 0.77 EPHX2 (0.49) ACECTSSCTSKCTSBCTSL
SCHEMBL2108529 0.71 CTSS (0.65) ACECTSSCTSKCTSBCTSL
SCHEMBL6595585 0.70 CTSS (0.50) ACECTSSCTSKCTSBCTSL
SCHEMBL9787706 0.70 CA12 (0.65) CTSSCTSKCTSBCTSLKDM4E
SCHEMBL10710306 0.70 CTSS (0.53) ACECTSSCTSKCTSBCTSL
SCHEMBL2173588 0.70 REN (0.67) ACECTSSCTSKCTSBCTSL
SCHEMBL4420859 0.70 REN (0.67) ACECTSSCTSKCTSBCTSL
SCHEMBL7618822 0.70 REN (0.67) ACECTSSCTSKCTSBCTSL
SCHEMBL3217972 0.70 CTSS (0.67) ACECTSSCTSKCTSBCTSL

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
US-4997950-A Antisecretory MURPHY RICHARD FINBAR (US) 1991-03-05 US disclosed