SCHEMBL9509435

SCHEMBL9509435

CC(C)C[C@H](NC(=O)[C@H](O)[C@H](Cc1ccc(S(C)(=O)=O)cc1)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.54
ECE1 P42892 1/20 0.54
CAPN1 P07384 2/20 0.52
CA5A P35218 1/20 0.52
CTSK P43235 4/20 0.51
CTSL P07711 3/20 0.50
PSMB1 P20618 1/20 0.50
CTSB P07858 1/20 0.50

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
SCHEMBL10589458 0.97 MME (0.51) MMEECE1CAPN1CA5ACTSK
SCHEMBL9512749 0.94 CA5A (0.52) CAPN1CA5ACTSKCTSLPSMB1
SCHEMBL9509406 0.94 CA5A (0.52) CAPN1CA5ACTSKCTSLPSMB1
SCHEMBL7438341 0.91 MME (0.62) MMEECE1CAPN1CTSKCTSL
SCHEMBL7438354 0.91 MME (0.62) MMEECE1CAPN1CTSKCTSL
SCHEMBL7436684 0.89 MME (0.58) MMEECE1CAPN1CTSKCTSL
SCHEMBL9512801 0.88 CA5A (0.49) CAPN1CA5ACTSKCTSLPSMB1
SCHEMBL7427743 0.88 MME (0.56) MMEECE1CAPN1CTSKPSMB1
SCHEMBL9509483 0.87 MME (0.55) MMEECE1CAPN1CTSKCTSL
SCHEMBL9510605 0.87 MME (0.55) MMEECE1CAPN1CTSKCTSL

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
EP-0332999-B1 PEPTIDES WITH INHIBITORY ACTIVITY OF ENZYMATIC SYSTEMS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZAMBON GROUP S.p.A. (IT) 1993-09-29 EP disclosed