SCHEMBL7102232

SCHEMBL7102232

CCCCCNC(=O)C(NC(=O)OC(C)(C)C)C(=O)NCCCCC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.50
CTSS P25774 3/20 0.50
CAPN1 P07384 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX1 P07099 2/20 0.46
DPP7 Q9UHL4 2/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PTPN1 P18031 3/20 0.43
PTPRA P18433 1/20 0.43

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
SCHEMBL506750 0.85 CTSK (0.55) CTSKCTSSCAPN1TDP1EPHX1
SCHEMBL21561570 0.85 CTSK (0.55) CTSKCTSSCAPN1TDP1EPHX1
SCHEMBL506749 0.85 CTSK (0.55) CTSKCTSSCAPN1TDP1EPHX1
SCHEMBL7346299 0.85 CAPN1 (0.50) CTSKCTSSCAPN1TDP1MEN1
SCHEMBL10704556 0.82 CTSK (0.60) CTSKCTSSCAPN1TDP1EPHX1
SCHEMBL10481480 0.82 CTSK (0.60) CTSKCTSSCAPN1TDP1EPHX1
SCHEMBL20542796 0.82 CTSK (0.70) CTSKCTSSCAPN1TDP1MEN1
SCHEMBL20542797 0.82 CTSK (0.70) CTSKCTSSCAPN1TDP1MEN1
SCHEMBL24072863 0.81 CTSK (0.54) CTSKCTSSCAPN1TDP1EPHX1
SCHEMBL178408 0.81 TDP1 (0.70) TDP1MEN1GAAKMT2AEPHX1

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-1140818-B1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMA INC (US) 2003-09-10 EP disclosed
US-6329550-B1 FOR THERAPY OF EMPHYSEMA, OSTEOPOROSIS, RHEUMATOID ARTHRITIS AND NEOPLASTIC DISEASES AVENTIS PHARMACEUTICALS INC. 2001-12-11 US disclosed
EP-1140818-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE Aventis Pharmaceuticals Inc. (US) 2001-10-10 EP disclosed
WO-2000040552-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 WO disclosed