SCHEMBL7101187

SCHEMBL7101187

COc1ccc(CS[C@@H](Cc2ccccc2)C(=O)NC(C(=O)NCCc2ccccc2C)C(=O)NCCc2ccccc2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GLA P06280 1/20 0.43
ACE P12821 1/20 0.42
MEN1 O00255 1/20 0.42
CAPN1 P07384 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
EPHX1 P07099 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL7102597 0.91 KMT2A (0.47) KMT2AL3MBTL1ALDH1A1ACECAPN1
SCHEMBL7103729 0.86 KMT2A (0.53) KMT2AL3MBTL1ALDH1A1PLAAT3PLAAT5
SCHEMBL7104234 0.86 KMT2A (0.50) KMT2AL3MBTL1ALDH1A1PLAAT3PLAAT5
SCHEMBL7098635 0.84 CTSD (0.51) KMT2AALDH1A1MEN1CAPN1PLAAT3
SCHEMBL7104047 0.83 KMT2A (0.50) KMT2AL3MBTL1ACECAPN1PLAAT3
SCHEMBL7102819 0.83 KMT2A (0.49) KMT2AL3MBTL1ALDH1A1MEN1PLAAT3
SCHEMBL7101188 0.82 KMT2A (0.45) KMT2AMEN1CAPN1MTNR1AMTNR1B
SCHEMBL7101476 0.81 L3MBTL1 (0.55) KMT2AL3MBTL1ALDH1A1ACEEPHX1
SCHEMBL7162745 0.80 L3MBTL1 (0.51) KMT2AL3MBTL1ALDH1A1ACEEPHX1
SCHEMBL7098915 0.76 MME (0.50) KMT2AALDH1A1ACEMEN1

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