SCHEMBL7106549

SCHEMBL7106549

CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.48
CTSL P07711 6/20 0.46
CTSS P25774 4/20 0.46
CTSB P07858 2/20 0.46
ITGB1 P05556 5/20 0.45
ITGA4 P13612 5/20 0.45

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
SCHEMBL5683187 0.89 ITGB1 (0.54) ITGB1ITGA4
SCHEMBL11176046 0.87 STAT3 (0.49) CTSKCTSLCTSS
SCHEMBL11333776 0.87 STAT3 (0.49) CTSKCTSLCTSS
SCHEMBL11172309 0.87 STAT3 (0.49) CTSKCTSLCTSS
SCHEMBL11328272 0.86 MEN1 (0.51) CTSKCTSLCTSS
SCHEMBL11178329 0.85 CTSK (0.48) CTSKCTSLCTSSCTSB
SCHEMBL10903528 0.82 CTRB1 (0.42) CTSKCTSLCTSSCTSB
SCHEMBL10903526 0.82 CTRB1 (0.42) CTSKCTSLCTSSCTSB
SCHEMBL5683115 0.82 YAP1 (0.47) ITGB1ITGA4
SCHEMBL7106067 0.81 ITGB1 (0.40) CTSKITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019434-B1 INHIBITORS OF METALLOPROTEINASES, THEIR THERAPEUTIC USE, AND PROCESS FOR THE PRODUCTION OF THE STARTING COMPOUND IN THEIR SYNTHESIS POLIFARMA SPA (IT) 2003-10-01 EP disclosed
US-6339160-B1 FOR THERAPY OF TUMORAL GROWTH AND METASTATIZATION, ATEROSCLEROSIS, MULTIPLE SCLEROSIS, ALZHEIMER'S DISEASE, OSTEOPOROSIS, HYPERTENSION, RHEUMATOID ARTHRITIS AND OTHER INFLAMMATORY DISEASES POLIFARMA S.P.A. (IT) 2002-01-15 US disclosed
EP-1019434-A2 INHIBITORS OF METALLOPROTEINASES, THEIR THERAPEUTIC USE, AND PROCESS FOR THE PRODUCTION OF THE STARTING COMPOUND IN THEIR SYNTHESIS POLIFARMA S.p.A. (IT) 2000-07-19 EP disclosed
WO-1999003878-A2 INHIBITORS OF METALLOPROTEINASES, THEIR THERAPEUTIC USE, AND PROCESS FOR THE PRODUCTION OF THE STARTING COMPOUND IN THEIR SYNTHESIS POLIFARMA S.P.A. (IT) 1999-01-28 WO disclosed