SCHEMBL9514734

SCHEMBL9514734

CCC[C@@H]([C]=O)NC(=O)[C@@H](N)CCSC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.44
DPP7 Q9UHL4 9/20 0.40
DPP9 Q86TI2 8/20 0.40
DPP8 Q6V1X1 7/20 0.40
DPP4 P27487 5/20 0.40
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
TSHR P16473 1/20 0.36
SLC15A1 P46059 1/20 0.34
LMNA P02545 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33

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
SCHEMBL10349778 1.00 CTSC (0.44) CTSCDPP7DPP9DPP8DPP4
SCHEMBL10441973 1.00 CTSC (0.44) CTSCDPP7DPP9DPP8DPP4
SCHEMBL9797593 0.93 METAP2 (0.42) CTSCDPP7DPP9DPP8DPP4
SCHEMBL9797599 0.93 METAP2 (0.42) CTSCDPP7DPP9DPP8DPP4
SCHEMBL9797628 0.87 DPP7 (0.50) CTSCDPP7DPP9DPP8DPP4
SCHEMBL8991404 0.87 DPP7 (0.50) CTSCDPP7DPP9DPP8DPP4
SCHEMBL10796739 0.85 DPP4 (0.46) CTSCDPP7DPP9DPP8DPP4
SCHEMBL10723179 0.85 DPP4 (0.46) CTSCDPP9DPP8DPP4METAP2
SCHEMBL11596802 0.85 CTSC (0.42) CTSCDPP7DPP9DPP8DPP4
SCHEMBL9815784 0.85 CTSC (0.44) CTSCDPP7DPP9DPP8DPP4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238245-B1 3-HALOVINYLGLYCINE ANTIBACTERIAL AGENTS MERCK & CO. INC. (US) 1990-06-20 EP claimed
EP-0238245-A1 3-Halovinylglycine antibacterial agents MERCK & CO. INC. (US) 1987-09-23 EP claimed
EP-0353317-B1 TRIPEPTIDES OF N3-4-METHOXYFUMARYL-L-2,3-DIAMINOPROPANOIC ACID AND THE METHOD OF THEIR OBTAINING POLITECHNIKA GDANSKA (PL) 1993-10-06 EP disclosed
EP-0238245-B1 3-HALOVINYLGLYCINE ANTIBACTERIAL AGENTS MERCK & CO. INC. (US) 1990-06-20 EP disclosed
EP-0353317-A1 Tripeptides of N3-4-methoxyfumaryl-L-2,3-diaminopropanoic acid and the method of their obtaining POLITECHNIKA GDANSKA (PL) 1990-02-07 EP disclosed
US-4806680-A REACTING IN N-PROTECTED VINYLGLYCINE ESTER WITH ARYLSELENENYL HALIDE, OXIDATION THE ADDUCT, HEATING IN MINERAL ACID MERCK & CO., INC. (US) 1989-02-21 US disclosed
US-4727062-A INHIBITORS OF ALANINE RACEMASE MERCK & CO., INC. (US) 1988-02-23 US disclosed
EP-0238245-A1 3-Halovinylglycine antibacterial agents MERCK & CO. INC. (US) 1987-09-23 EP disclosed