SCHEMBL2445557

SCHEMBL2445557

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.69
CTSK P43235 10/20 0.69
CTSB P07858 4/20 0.69
CTSL P07711 2/20 0.69
AKT1 P31749 1/20 0.67
PTPN1 P18031 3/20 0.59
PTPRA P18433 1/20 0.58

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
SCHEMBL17965178 1.00 CTSS (0.69) CTSSCTSKCTSBCTSLAKT1
SCHEMBL17965094 1.00 CTSS (0.69) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2443520 1.00 CTSS (0.69) CTSSCTSKCTSBCTSLAKT1
SCHEMBL17965160 1.00 CTSS (0.69) CTSSCTSKCTSBCTSLAKT1
SCHEMBL17965154 1.00 CTSS (0.69) CTSSCTSKCTSBCTSLAKT1
SCHEMBL17965040 1.00 CTSS (0.69) CTSSCTSKCTSBCTSLAKT1
SCHEMBL17965074 0.99 CTSS (0.71) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2440471 0.96 CTSS (0.71) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2444606 0.96 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2405030 0.96 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365050-B1 DI-AMIDO GELLANT FOR USE IN CONSUMER PRODUCT COMPOSITIONS PROCTER & GAMBLE (US) 2016-08-10 EP claimed
EP-2365050-A1 Di-amido gelaant for use in consumer product compositions The Procter & Gamble Company (US) 2011-09-14 EP disclosed