SCHEMBL9215248

SCHEMBL9215248

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.53
▸ CTSB P07858 5/20 0.53
▸ PSMB5 P28074 1/20 0.51
▸ REN P00797 5/20 0.49
▸ CASP3 P42574 2/20 0.47
▸ PSEN1 P49768 2/20 0.46
▸ PSEN2 P49810 2/20 0.46
▸ APH1B Q8WW43 2/20 0.46
▸ NCSTN Q92542 2/20 0.46
▸ APH1A Q96BI3 2/20 0.46
▸ PSENEN Q9NZ42 2/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ CASP9 P55211 1/20 0.46
▸ SYK P43405 1/20 0.46

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
SCHEMBL31326055 0.94 CTSK (0.51) CTSKCTSBPSMB5RENCASP3
SCHEMBL31326056 0.94 CTSK (0.51) CTSKCTSBPSMB5RENCASP3
SCHEMBL7303642 0.94 CTSK (0.56) CTSKCTSBPSMB5RENCASP3
SCHEMBL7886933 0.88 CTSK (0.53) CTSKCTSBPSMB5RENCASP3
SCHEMBL18342569 0.88 CTSK (0.55) CTSKCTSBPSMB5RENSYK
SCHEMBL20263594 0.88 CTSK (0.55) CTSKCTSBPSMB5RENSYK
SCHEMBL30645045 0.86 REN (0.55) CTSKCTSBREN
SCHEMBL7304605 0.85 HTT (0.46) CTSKCTSBPSMB5CASP3CASP1
SCHEMBL19944560 0.85 ECE1 (0.50) CTSKCTSBPSMB5RENCASP3
SCHEMBL17261861 0.84 CTSK (0.52) CTSKCTSBPSMB5RENCASP1

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
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