SCHEMBL7107780

SCHEMBL7107780

CC(C)C[C@H](NC(=O)c1ccc[nH]1)C(=O)N[C@@H](Cc1cn(P(=O)(O)O)c2ccccc12)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 7/20 0.44
KISS1R Q969F8 2/20 0.43
ERAP2 Q6P179 3/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
ACE P12821 2/20 0.41
MME P08473 1/20 0.41
ERAP1 Q9NZ08 2/20 0.41
ANPEP P15144 1/20 0.41
IL1RN P18510 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 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
SCHEMBL7697199 0.83 MME (0.43) ERAP2MMEERAP1ANPEP
SCHEMBL7111472 0.82 ALDH1A1 (0.46) ECE1ERAP2MMEERAP1ANPEP
SCHEMBL7107699 0.80 APLNR (0.39) ECE1ERAP2ACEMME
SCHEMBL7107828 0.79 ECE1 (0.38) ECE1ERAP2ACEMMEMMP9
SCHEMBL7111230 0.78 MME (0.38) ECE1ACEMMEMMP9MMP8
SCHEMBL7110647 0.75 ERAP2 (0.46) ECE1ERAP2MMP1MMEERAP1
SCHEMBL7108670 0.75 GRN (0.54) MME
SCHEMBL7106067 0.74 ITGB1 (0.40) ECE1MME
SCHEMBL7700446 0.72 ALDH1A1 (0.46) MME
SCHEMBL18396320 0.69 MMP9 (0.52) MMP9MMP8

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