SCHEMBL7108670

SCHEMBL7108670

CC(C)C[C@H](NC(=O)c1ccc[nH]1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRN P28799 3/20 0.54
SORT1 Q99523 3/20 0.54
CA2 P00918 2/20 0.49
CA1 P00915 1/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
MME P08473 1/20 0.47

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
SCHEMBL1170963 0.85 KDM4E (0.46) KDM4EPOLB
SCHEMBL27607727 0.85 KDM4E (0.46) KDM4EPOLB
SCHEMBL10779891 0.80 KISS1R (0.46) KDM4E
SCHEMBL1603738 0.79 TSHR (0.51) CA2CA1KDM4E
SCHEMBL9417260 0.79 L3MBTL1 (0.56) CA2CA1MME
SCHEMBL7211001 0.79 PSMB5 (0.48)
Leucine SCHEMBL7211002 0.79 LTA4H (0.49)
SCHEMBL12376697 0.77 KDM4E (0.49) KDM4EPOLB
SCHEMBL2158900 0.76 CTSL (0.67) GRNSORT1CA2CA1ALDH1A1
SCHEMBL4465251 0.76 CTSL (0.67) GRNSORT1CA2CA1ALDH1A1

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