SCHEMBL11116006

SCHEMBL11116006

CC(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.60
CTSK P43235 1/20 0.60
GNPAT O15228 1/20 0.60
PAM P19021 1/20 0.53
CPA1 P15085 1/20 0.52
CPB1 P15086 1/20 0.52
CPA2 P48052 1/20 0.52
CPA4 Q9UI42 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
CTSD P07339 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MME P08473 1/20 0.51

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
SCHEMBL11116015 1.00 CTSS (0.60) CTSSCTSKGNPATPAMCPA1
SCHEMBL17732667 0.92 GNPAT (0.56) CTSSCTSKGNPATPAMCTSD
SCHEMBL646595 0.89 CASP1 (0.55) CTSSCTSKGNPATCPA1CPA2
SCHEMBL15692294 0.88 MME (0.57) CTSSCTSKGNPATCPA1ACE2
SCHEMBL30052163 0.88 CTSD (0.54) GNPATCTSD
SCHEMBL29434528 0.87 CTSS (0.60) CTSSCTSKGNPATPAM
SCHEMBL17732666 0.87 BACE1 (0.51) GNPAT
SCHEMBL9576140 0.86 CTRB1 (0.56) GNPATCPA1ACE2CTSDALDH1A1
SCHEMBL2934284 0.86 PSMB5 (0.62) CTSSCTSK
SCHEMBL11113189 0.85 CTSS (0.63) CTSSCTSKGNPATPAMMME

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-0035743-B1 PROCESS FOR THE PREPARATION OF DIPEPTIDES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1984-11-07 EP disclosed
US-4352752-A Process for the preparation of dipeptides SAGAMI CHEMICAL RESEARCH CENTER (JP) 1982-10-05 US disclosed
EP-0035743-A1 Process for the preparation of dipeptides SAGAMI CHEMICAL RESEARCH CENTER (JP) 1981-09-16 EP disclosed