SCHEMBL7104280

SCHEMBL7104280

CC(=S)[C@@H](Cc1ccccc1)C(=O)NC(C(=O)NCCc1ccccc1)C(=O)NCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 3/20 0.52
POLB P06746 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL7104285 1.00 MMP8 (0.52) MMP8POLBKMT2AMEN1TSHR
SCHEMBL7104095 0.93 MMP8 (0.60) MMP8KMT2A
SCHEMBL7104100 0.93 MMP8 (0.60) MMP8KMT2A
SCHEMBL7102745 0.91 KMT2A (0.57) MMP8KMT2AMEN1NPC1RAB9A
SCHEMBL7102740 0.91 KMT2A (0.57) MMP8KMT2AMEN1NPC1RAB9A
SCHEMBL7097755 0.90 MMP8 (0.54) MMP8POLBKMT2AMEN1TSHR
SCHEMBL7097759 0.90 MMP8 (0.54) MMP8POLBKMT2AMEN1TSHR
SCHEMBL7102221 0.88 POLB (0.49) MMP8POLBKMT2AMEN1TSHR
SCHEMBL7104059 0.87 MMP8 (0.56) MMP8POLBCA12CA1CA2
SCHEMBL7104054 0.87 MMP8 (0.56) MMP8POLBCA12CA1CA2

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