SCHEMBL9512801

SCHEMBL9512801

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 2/20 0.49
CTSK P43235 6/20 0.48
CTSL P07711 4/20 0.48
SPPL2A Q8TCT8 1/20 0.47
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2D6 P10635 4/20 0.45
CYP2C9 P11712 4/20 0.45
CYP2C19 P33261 4/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
PSMB1 P20618 2/20 0.45
CA2 P00918 1/20 0.44
PSMB5 P28074 1/20 0.44
PSMB2 P49721 1/20 0.44
CAPN1 P07384 1/20 0.44
MAPT P10636 1/20 0.44
CA1 P00915 1/20 0.44
TRPM8 Q7Z2W7 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
SCHEMBL9512749 0.88 CA5A (0.52) CA5ACTSKCTSLSPPL2APSMB1
SCHEMBL9509406 0.88 CA5A (0.52) CA5ACTSKCTSLSPPL2APSMB1
SCHEMBL9509435 0.88 MME (0.54) CA5ACTSKCTSLPSMB1CAPN1
SCHEMBL10589458 0.86 MME (0.51) CA5ACTSKCTSLPSMB1CAPN1
SCHEMBL9512806 0.85 SPPL2A (0.51) CA5ACTSKCTSLSPPL2ACYP1A2
SCHEMBL9499472 0.83 TRPM8 (0.53) CA5ACTSKCTSLSPPL2ACYP1A2
SCHEMBL9502253 0.83 TRPM8 (0.53) CA5ACTSKCTSLSPPL2ACYP1A2
SCHEMBL9499470 0.83 TRPM8 (0.53) CA5ACTSKCTSLSPPL2ACYP1A2
SCHEMBL9633578 0.82 TRPM8 (0.52) CA5ACTSKCTSLSPPL2ACYP1A2
SCHEMBL9632870 0.81 CTRB1 (0.60) CA5ACTSKCTSLCYP1A2CYP3A4

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 3 patents. 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
US-5028626-A Peptides with pharmaceutical activity ZAMBON GROUP S.P.A. (IT) 1991-07-02 US disclosed
EP-0332999-A2 Peptides with inhibitory activity of enzymatic systems, process for their preparation and pharmaceutical compositions containing them ZAMBON GROUP S.p.A. (IT) 1989-09-20 EP disclosed