SCHEMBL7097759

SCHEMBL7097759

CC(=S)C(CCc1ccccc1)C(=O)NC(C(=O)NCCc1ccccc1)C(=O)NCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 8/20 0.54
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 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
SCHEMBL7097755 1.00 MMP8 (0.54) MMP8POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL7102221 0.93 POLB (0.49) MMP8POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL7104280 0.90 MMP8 (0.52) MMP8POLBSMN1; SMN2MEN1TSHR
SCHEMBL7104285 0.90 MMP8 (0.52) MMP8POLBSMN1; SMN2MEN1TSHR
SCHEMBL7099870 0.84 KMT2A (0.51) POLBSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL7102290 0.84 KMT2A (0.51) POLBSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL7099866 0.84 KMT2A (0.51) POLBSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL7104100 0.82 MMP8 (0.60) MMP8KMT2A
SCHEMBL7104095 0.82 MMP8 (0.60) MMP8KMT2A
SCHEMBL7102068 0.82 KMT2A (0.49) POLBSMN1; SMN2ALDH1A1HPGDMEN1

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