SCHEMBL8716565

SCHEMBL8716565

O=[C][C@H](COCc1ccccc1)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.51
CTSS P25774 8/20 0.51
CTSK P43235 7/20 0.51
CTSB P07858 4/20 0.51
HDAC8 Q9BY41 2/20 0.46
TACR1 P25103 1/20 0.45
ITGB3 P05106 6/20 0.44
ITGA2B P08514 6/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 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
SCHEMBL8696145 0.90 ITGB3 (0.51) CTSLCTSSCTSBHDAC8ITGB3
SCHEMBL8693495 0.90 ITGB3 (0.51) CTSLCTSSCTSBHDAC8ITGB3
SCHEMBL8692584 0.90 ITGB3 (0.51) CTSLCTSSCTSBHDAC8ITGB3
SCHEMBL8692591 0.90 ITGB3 (0.51) CTSLCTSSCTSBHDAC8ITGB3
SCHEMBL7866955 0.86 CAPN1 (0.50) HDAC8ITGB3ITGA2B
SCHEMBL7286309 0.86 TACR1 (0.54) CTSLCTSSCTSKCTSBTACR1
SCHEMBL7286303 0.86 TACR1 (0.54) CTSLCTSSCTSKCTSBTACR1
SCHEMBL8692947 0.84 CTSL (0.52) CTSLCTSSCTSKCTSBTACR1
SCHEMBL8695637 0.83 GPR132 (0.56) CTSLCTSBITGB3ITGA2B
SCHEMBL10443977 0.81 CTSL (0.57) CTSLCTSSCTSKCTSBTACR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763577-A ANTICARCINOGENIC AGENTS WARNER-LAMBERT COMPANY (US) 1998-06-09 US disclosed
EP-0725790-A1 SUBSTITUTED TETRA- AND PENTAPEPTIDE INHIBITORS OF PROTEIN:FARNESYL TRANSFERASE PARKE DAVIS & COMPANY (US) 1996-08-14 EP disclosed
WO-1995011917-A1 SUBSTITUTED TETRA- AND PENTAPEPTIDE INHIBITORS OF PROTEIN:FARNESYL TRANSFERASE PARKE, DAVIS & COMPANY (US) 1995-05-04 WO disclosed