SCHEMBL7358702

SCHEMBL7358702

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

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.65
CTSK P43235 10/20 0.65
CTSB P07858 4/20 0.65
CTSL P07711 2/20 0.65
AKT1 P31749 1/20 0.54
ACE P12821 1/20 0.54
REN P00797 4/20 0.52

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
SCHEMBL7295862 0.92 CTSS (0.69) CTSSCTSKCTSBCTSLAKT1
SCHEMBL5050550 0.92 CTSS (0.69) CTSSCTSKCTSBCTSLAKT1
SCHEMBL7295855 0.92 CTSS (0.69) CTSSCTSKCTSBCTSLAKT1
SCHEMBL3498556 0.88 CTSS (0.64) CTSSCTSKCTSBCTSLAKT1
SCHEMBL7287865 0.86 CTSK (0.61) CTSSCTSKCTSBCTSLAKT1
SCHEMBL7287859 0.86 CTSK (0.61) CTSSCTSKCTSBCTSLAKT1
SCHEMBL5709614 0.85 CTSS (0.65) CTSSCTSKCTSBCTSLAKT1
SCHEMBL29964830 0.85 CTSS (0.65) CTSSCTSKCTSBCTSLAKT1
SCHEMBL7268466 0.84 CTSS (0.56) CTSSCTSKCTSBCTSLAKT1
SCHEMBL7296225 0.84 CTSS (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684830-A4 INHIBITORS OF THROMBOSIS. CORVAS INT INC (US) 1996-04-17 EP disclosed
EP-0684830-A1 INHIBITORS OF THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 1995-12-06 EP disclosed
WO-1994017817-A1 INHIBITORS OF THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 1994-08-18 WO disclosed