SCHEMBL7106067

SCHEMBL7106067

CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cn(P(=O)(O)O)c2ccccc12)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 5/20 0.40
ITGA4 P13612 5/20 0.40
TACR1 P25103 1/20 0.39
MME P08473 1/20 0.39
ECE1 P42892 1/20 0.39
CTSK P43235 3/20 0.39

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
SCHEMBL8072300 0.82 ITGB1 (0.41) ITGB1ITGA4MMEECE1CTSK
SCHEMBL7106549 0.81 CTSK (0.48) ITGB1ITGA4CTSK
SCHEMBL7111230 0.79 MME (0.38) MMEECE1
SCHEMBL7107699 0.79 APLNR (0.39) MMEECE1
SCHEMBL5683187 0.77 ITGB1 (0.54) ITGB1ITGA4
SCHEMBL7107828 0.76 ECE1 (0.38) MMEECE1
SCHEMBL7697199 0.75 MME (0.43) MME
SCHEMBL7110647 0.75 ERAP2 (0.46) MMEECE1CTSK
SCHEMBL11178329 0.75 CTSK (0.48) CTSK
SCHEMBL7107780 0.74 ECE1 (0.44) MMEECE1

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
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