SCHEMBL9542347

SCHEMBL9542347

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
CAPN1 P07384 7/20 0.43
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB2 P49721 1/20 0.41
CTSB P07858 5/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
CPA1 P15085 2/20 0.38
CPA2 P48052 2/20 0.38
CPA4 Q9UI42 2/20 0.38
CPB1 P15086 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
CTSL P07711 1/20 0.37

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
SCHEMBL3866137 1.00 ALDH1A1 (0.53) ALDH1A1CAPN1PSMB1PSMB5PSMB2
SCHEMBL7510270 1.00 ALDH1A1 (0.53) ALDH1A1CAPN1PSMB1PSMB5PSMB2
SCHEMBL5493308 0.98 ALDH1A1 (0.55) ALDH1A1CAPN1PSMB1PSMB5PSMB2
SCHEMBL5493312 0.98 ALDH1A1 (0.55) ALDH1A1CAPN1PSMB1PSMB5PSMB2
SCHEMBL7039386 0.88 ALDH1A1 (0.47) ALDH1A1PSMB1PSMB5PSMB2CTSB
SCHEMBL7039371 0.88 ALDH1A1 (0.47) ALDH1A1PSMB1PSMB5PSMB2CTSB
SCHEMBL24024845 0.87 CAPN1 (0.43) ALDH1A1CAPN1PSMB1PSMB5PSMB2
SCHEMBL25267609 0.87 CAPN1 (0.46) ALDH1A1CAPN1PSMB1PSMB5PSMB2
SCHEMBL16024738 0.87 CAPN1 (0.43) ALDH1A1CAPN1PSMB1PSMB5PSMB2
SCHEMBL15957011 0.87 CAPN1 (0.46) ALDH1A1CAPN1PSMB1PSMB5PSMB2

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
JP-5178758-A None JP disclosed
JP-H05178758-A PREVENTING AND THERAPEUTIC AGENT FOR OSTEOPATHY CONTAINING TRIPEPTIDE AS ACTIVE INGREDIENT SUNTORY LTD 1993-07-20 JP disclosed
EP-0504938-A2 Prophylactic and therapeutic agent for bone diseases comprising di- or tripeptide derivative as active ingredient SUNTORY LIMITED (JP) 1992-09-23 EP disclosed