SCHEMBL7101476

SCHEMBL7101476

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
ACE P12821 1/20 0.53
EPHX1 P07099 1/20 0.51
LDHA P00338 1/20 0.50
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
KMT2A Q03164 1/20 0.49
FPR2 P25090 1/20 0.49
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
MMP3 P08254 1/20 0.45
CNR2 P34972 1/20 0.45

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
SCHEMBL7162745 0.89 L3MBTL1 (0.51) L3MBTL1ACEEPHX1LDHAPPARG
SCHEMBL7103729 0.82 KMT2A (0.53) L3MBTL1KMT2AFPR2ALDH1A1
SCHEMBL7104234 0.82 KMT2A (0.50) L3MBTL1KMT2AALDH1A1POLB
SCHEMBL7102597 0.81 KMT2A (0.47) L3MBTL1ACEKMT2AALDH1A1
SCHEMBL7101187 0.81 KMT2A (0.47) L3MBTL1ACEEPHX1KMT2AALDH1A1
SCHEMBL7098635 0.81 CTSD (0.51) KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL7102819 0.80 KMT2A (0.49) L3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7104047 0.80 KMT2A (0.50) L3MBTL1ACEKMT2AFPR2SMN1; SMN2
SCHEMBL11019441 0.77 EPHX1 (0.55) L3MBTL1EPHX1LDHAPPARGPPARA
SCHEMBL10944842 0.77 PPARG (0.51) L3MBTL1ACEEPHX1LDHAPPARG

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