SCHEMBL7102597

SCHEMBL7102597

COc1ccc(CS[C@@H](Cc2ccccc2)C(=O)NC(C(=O)NCCc2ccccc2OC)C(=O)NCCc2ccccc2OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
ACE P12821 1/20 0.42
CAPN1 P07384 1/20 0.42

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
SCHEMBL7101187 0.91 KMT2A (0.47) KMT2AMTNR1AMTNR1BL3MBTL1TAAR1
SCHEMBL7098635 0.88 CTSD (0.51) KMT2AALDH1A1CAPN1
SCHEMBL7104234 0.86 KMT2A (0.50) KMT2AOPRM1OPRD1OPRK1L3MBTL1
SCHEMBL7103729 0.86 KMT2A (0.53) KMT2AL3MBTL1TAAR1HPGDALDH1A1
SCHEMBL7104047 0.83 KMT2A (0.50) KMT2AL3MBTL1TAAR1HPGDGAA
SCHEMBL7102819 0.83 KMT2A (0.49) KMT2AL3MBTL1HPGDALDH1A1
SCHEMBL7101476 0.81 L3MBTL1 (0.55) KMT2AL3MBTL1ALDH1A1ACE
SCHEMBL7102600 0.81 MTNR1A (0.46) KMT2AMTNR1AMTNR1BOPRM1OPRD1
SCHEMBL7101199 0.80 MTNR1A (0.53) KMT2AMTNR1AMTNR1BOPRM1OPRD1
SCHEMBL7101203 0.80 MTNR1A (0.53) KMT2AMTNR1AMTNR1BOPRM1OPRD1

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