SCHEMBL7668192

SCHEMBL7668192

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CSC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.49
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
CCR1 P32246 2/20 0.47
CTSD P07339 2/20 0.44
PREP P48147 1/20 0.43
CYP3A4 P08684 1/20 0.43
CMA1 P23946 3/20 0.42
DPP4 P27487 1/20 0.42
ELANE P08246 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
REN P00797 1/20 0.41

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
SCHEMBL7662824 0.94 CTSD (0.49) CAPN1CTSLCTSBCTSKCCR1
SCHEMBL7658041 0.93 CTSL (0.44) CAPN1CTSLCTSBCTSKCCR1
SCHEMBL7668101 0.91 PREP (0.48) CAPN1PREPCYP3A4DPP4ELANE
SCHEMBL7664531 0.90 CAPN1 (0.48) CAPN1CTSLCTSBCTSKCCR1
SCHEMBL7664392 0.90 ELANE (0.47) CCR1CMA1ELANE
SCHEMBL7659218 0.89 CMA1 (0.52) CMA1
SCHEMBL7669769 0.89 CASP1 (0.43) CTSDPREPCYP3A4DPP4TRPM8
SCHEMBL7670975 0.89 DPP4 (0.49) CTSLCTSBCTSKPREPCYP3A4
SCHEMBL7655898 0.89 ACE2 (0.46) CTSDCMA1
SCHEMBL7670814 0.88 REN (0.49) CAPN1CTSLCTSBCTSKPREP

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-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed