SCHEMBL9220259

SCHEMBL9220259

C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.55
KLK5 Q9Y337 2/20 0.52
ATM Q13315 1/20 0.51
KMT2A Q03164 1/20 0.51
CTSS P25774 2/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
KLK7 P49862 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
SCHEMBL7294995 0.94 CTSS (0.56) RENKLK5CTSSCTSLCTSB
SCHEMBL16462611 0.93 CTSS (0.57) RENKLK5ATMKMT2ACTSS
SCHEMBL16462608 0.93 CTSS (0.57) RENKLK5ATMKMT2ACTSS
SCHEMBL27510152 0.89 CTSS (0.53) RENKLK5CTSSCTSLCTSB
SCHEMBL27487264 0.89 KLK5 (0.60) RENKLK5CTSSCTSLCTSB
SCHEMBL21269701 0.89 KLK5 (0.60) RENKLK5CTSSCTSLCTSB
SCHEMBL30375069 0.89 KLK5 (0.60) RENKLK5CTSSCTSLCTSB
SCHEMBL25492097 0.88 REN (0.56) RENKLK5KLK7
SCHEMBL9217713 0.87 REN (0.50) RENKLK5ATMKMT2ACTSS
SCHEMBL30645045 0.87 REN (0.55) RENKLK5CTSLCTSBCTSK

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
US-5430024-A Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation HOFFMANN-LA ROCHE INC. (US) 1995-07-04 US disclosed
US-5273982-A An amidinoaryleneamidoalkylpiperazinyleneacetic acid HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed