SCHEMBL8995548

SCHEMBL8995548

CC(C)(C)OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCCc1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.52
CTSL P07711 8/20 0.52
CTSB P07858 5/20 0.52
CTSK P43235 6/20 0.49
P2RX7 Q99572 1/20 0.47
CA5A P35218 1/20 0.45
CAPN1 P07384 1/20 0.45
CAPN2 P17655 1/20 0.45
BCL2 P10415 1/20 0.44

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
SCHEMBL8995562 1.00 CTSS (0.52) CTSSCTSLCTSBCTSKP2RX7
SCHEMBL7423272 1.00 CTSS (0.52) CTSSCTSLCTSBCTSKP2RX7
SCHEMBL8995549 0.92 CTSS (0.52) CTSSCTSLCTSBCTSK
SCHEMBL7423262 0.92 CTSS (0.52) CTSSCTSLCTSBCTSK
SCHEMBL7418533 0.92 CTSS (0.52) CTSSCTSLCTSBCTSK
SCHEMBL8995544 0.89 CTSS (0.53) CTSSCTSLCTSBCTSKP2RX7
SCHEMBL8995546 0.89 CTSS (0.53) CTSSCTSLCTSBCTSKP2RX7
SCHEMBL8995535 0.88 CTSS (0.46) CTSSCTSLCTSBCTSK
SCHEMBL8995530 0.88 CTSS (0.46) CTSSCTSLCTSBCTSK
SCHEMBL22398518 0.87 CTSL (0.54) CTSSCTSLCTSBCTSKCAPN1

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-5552431-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-09-03 US disclosed
US-5424334-A Peptide mimetic compounds useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-06-13 US disclosed