SCHEMBL7933465

SCHEMBL7933465

COC(=O)C[C@H]1C(=O)N(CC(=O)O)CCN1C(=O)[C@H](C)NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.52
ITGB3 P05106 3/20 0.48
ITGA2B P08514 3/20 0.48
CAPN1 P07384 3/20 0.46
CTSB P07858 2/20 0.42
CTSK P43235 2/20 0.42
CTSS P25774 1/20 0.42
CTSL P07711 1/20 0.42
CCR1 P32246 2/20 0.41
CASP1 P29466 2/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
CASP6 P55212 1/20 0.41
CASP8 Q14790 1/20 0.41
ELANE P08246 1/20 0.40

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
SCHEMBL7933461 1.00 PREP (0.52) PREPITGB3ITGA2BCAPN1CTSB
SCHEMBL7933471 1.00 PREP (0.52) PREPITGB3ITGA2BCAPN1CTSB
SCHEMBL7308737 0.85 P2RX7 (0.47) ITGB3ITGA2BCTSBCTSKCTSS
SCHEMBL7308051 0.84 ITGB3 (0.48) ITGB3ITGA2BCTSBCTSKCTSS
SCHEMBL7363004 0.78 KLK7 (0.47) CTSBCTSKCTSSCTSLCASP1
SCHEMBL7363000 0.78 KLK7 (0.47) CTSBCTSKCTSSCTSLCASP1
SCHEMBL7367319 0.78 KLK7 (0.47) CTSBCTSKCTSSCTSLCASP1
SCHEMBL7367317 0.78 KLK7 (0.47) CTSBCTSKCTSSCTSLCASP1
SCHEMBL7363006 0.78 KLK7 (0.47) CTSBCTSKCTSSCTSLCASP1
SCHEMBL7307823 0.78 P2RX7 (0.46) CTSBCTSKCTSSCTSL

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-6242600-B1 ANTIISCHEMIC AGENTS, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-05 US disclosed