SCHEMBL7103729

SCHEMBL7103729

COc1ccc(CS[C@@H](Cc2ccccc2)C(=O)NC(C(=O)NCCc2ccc(Cl)cc2)C(=O)NCCc2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
FPR2 P25090 2/20 0.48
CNR1 P21554 1/20 0.48
PLAAT3 P53816 2/20 0.47
PLAAT5 Q96KN8 2/20 0.47
PLAAT2 Q9NWW9 2/20 0.47
PLAAT4 Q9UL19 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CTSD P07339 1/20 0.45
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
USP2 O75604 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL7102819 0.92 KMT2A (0.49) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7104047 0.90 KMT2A (0.50) KMT2AFPR2PLAAT3PLAAT5PLAAT2
SCHEMBL7104234 0.89 KMT2A (0.50) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7098635 0.87 CTSD (0.51) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7102597 0.86 KMT2A (0.47) KMT2ATAAR1GAAHPGDL3MBTL1
SCHEMBL7101187 0.86 KMT2A (0.47) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7101476 0.82 L3MBTL1 (0.55) KMT2AFPR2L3MBTL1ALDH1A1
SCHEMBL7103731 0.82 KMT2A (0.52) KMT2AFPR2CNR1PLAAT3PLAAT5
SCHEMBL7097650 0.79 KMT2A (0.60) KMT2AFPR2PLAAT3PLAAT5PLAAT2
SCHEMBL7099460 0.79 KMT2A (0.60) KMT2AFPR2PLAAT3PLAAT5PLAAT2

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