SCHEMBL7032205

SCHEMBL7032205

CNC(=O)[C@@H](N)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 20/20 0.63
HDAC1 Q13547 3/20 0.53
HDAC3 O15379 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL7032203 1.00 HDAC8 (0.63) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL7032724 0.88 HDAC8 (0.50) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL7032727 0.88 HDAC8 (0.50) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL14198754 0.83 HDAC8 (0.57) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL15745971 0.83 HDAC8 (0.57) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL2895608 0.82 HDAC8 (0.56) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL2895605 0.82 HDAC8 (0.56) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL3751401 0.82 HDAC8 (0.56) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL44904 0.81 HDAC8 (0.58) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL44905 0.81 HDAC8 (0.58) HDAC8HDAC1HDAC3HDAC2HDAC6

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