SCHEMBL7034199

SCHEMBL7034199

CN[C@@H](Cc1ccc(O)cc1)C(=O)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.53
MMP8 P22894 2/20 0.52
ANPEP P15144 1/20 0.51
MMP1 P03956 3/20 0.51
FCER2 P06734 3/20 0.51
ALDH1A1 P00352 2/20 0.50
OPRM1 P35372 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CACNA1C Q13936 1/20 0.50
SCN9A Q15858 1/20 0.50
CA9 Q16790 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
CA14 Q9ULX7 1/20 0.50

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
SCHEMBL18435374 0.85 NPC1 (0.59) ALDH1A1CA12CA1CA2CA3
SCHEMBL29511665 0.83 MME (0.67) MME
SCHEMBL11780493 0.82 CTSL (0.73) CTSLANPEPMMP1FCER2
SCHEMBL8290604 0.82 MMP1 (0.48) CTSLMMP8ANPEPMMP1FCER2
SCHEMBL25627017 0.82 MME (0.66) MME
SCHEMBL8119788 0.81 CTSB (0.65) CTSLMMP8MMP1FCER2
SCHEMBL14947756 0.80 POLB (0.57) MMP8ANPEPALDH1A1CA12CA1
SCHEMBL20804412 0.80 POLB (0.57) MMP8ANPEPALDH1A1CA12CA1
SCHEMBL22317109 0.80 CTSS (0.52) CTSLANPEPMME
SCHEMBL2600864 0.80 MMP8 (0.58) MMP8ANPEPALDH1A1CA12CA1

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-0977730-B1 AMINO ACID DERIVATIVES INHIBITING EXTRACELLULAR MATRIX METALLOPROTEINASE AND TNF ALPHA RELEASE CHIESI FARMA SPA (IT) 2003-03-12 EP disclosed
US-6344457-B1 RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPOROSIS, CORNEAL ULCERATION, PERIODONTITIS, GINGIVITIS OR TUMOROUS INVASION AND METASTATIC PROLIFERATION, ATHEROSCLEROSIS, AIDS, CHRONIC INFLAMMATORY DISEASES OF THE INTESTINE CHIESI FARMACEUTICI S.P.A. (IT) 2002-02-05 US disclosed
EP-0977730-A1 AMINO ACID DERIVATIVES INHIBITING EXTRACELLULAR MATRIX METALLOPROTEINASE AND TNF ALPHA RELEASE CHIESI FARMACEUTICI S.p.A. (IT) 2000-02-09 EP disclosed
WO-1998047863-A1 AMINO ACID DERIVATIVES INHIBITING EXTRACELLULAR MATRIX METALLOPROTEINASE AND TNF ALPHA RELEASE CHIESI FARMACEUTICI S.P.A. (IT) 1998-10-29 WO disclosed