SCHEMBL11345784

SCHEMBL11345784

CCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.63
CTSS P25774 7/20 0.63
REN P00797 1/20 0.52
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
PTPN1 P18031 2/20 0.50
ENPEP Q07075 2/20 0.50
MME P08473 1/20 0.50
ACE P12821 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50

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
SCHEMBL8614151 0.96 CTSK (0.60) CTSKCTSSRENITGB3ITGA2B
SCHEMBL9876535 0.91 CTSK (0.63) CTSKCTSSRENCTSLCTSB
SCHEMBL22962442 0.91 CTSK (0.63) CTSKCTSSRENCTSLCTSB
SCHEMBL9876540 0.91 CTSK (0.63) CTSKCTSSRENCTSLCTSB
SCHEMBL30645691 0.90 CTSS (0.62) CTSKCTSSRENITGB3ITGA2B
SCHEMBL11346677 0.90 CTSK (0.59) CTSKCTSSRENCTSLCTSB
SCHEMBL28630396 0.90 CTSS (0.72) CTSKCTSSRENITGB3ITGA2B
SCHEMBL30645671 0.89 CTSS (0.61) CTSKCTSSRENITGB3ITGA2B
SCHEMBL31181957 0.89 CTSS (0.61) CTSKCTSSRENITGB3ITGA2B
SCHEMBL11125595 0.89 CTSK (0.63) CTSKCTSSRENCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4273704-A N-Adamantane-substituted tetrapeptide amides G. D. SEARLE & CO. (US) 1981-06-16 US disclosed