SCHEMBL7101444

SCHEMBL7101444

COc1ccc(CCNC(=O)C(NC(=O)[C@@H](S)Cc2ccccc2)C(=O)NCCc2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
CTSD P07339 4/20 0.57
PLAAT3 P53816 1/20 0.54
PLAAT5 Q96KN8 1/20 0.54
PLAAT2 Q9NWW9 1/20 0.54
PLAAT4 Q9UL19 1/20 0.54
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL7101450 1.00 ALDH1A1 (0.57) ALDH1A1CTSDPLAAT3PLAAT5PLAAT2
SCHEMBL7098639 0.92 LMNA (0.53) ALDH1A1CTSDPLAAT3PLAAT5PLAAT2
SCHEMBL7102733 0.86 RAB9A (0.49) ALDH1A1POLBKMT2ARAB9A
SCHEMBL7097735 0.86 RAB9A (0.49) ALDH1A1POLBKMT2ARAB9A
SCHEMBL7099462 0.86 KMT2A (0.60) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7099460 0.86 KMT2A (0.60) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7101203 0.85 MTNR1A (0.53) ALDH1A1KMT2ANPC1RAB9AHPGD
SCHEMBL7101199 0.85 MTNR1A (0.53) ALDH1A1KMT2ANPC1RAB9AHPGD
SCHEMBL7102694 0.84 MME (0.58) POLBTSHRMEN1KMT2A
SCHEMBL7102697 0.84 MME (0.58) POLBTSHRMEN1KMT2A

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 8 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 claimed
US-6329550-B1 FOR THERAPY OF EMPHYSEMA, OSTEOPOROSIS, RHEUMATOID ARTHRITIS AND NEOPLASTIC DISEASES AVENTIS PHARMACEUTICALS INC. 2001-12-11 US claimed
EP-1140818-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE Aventis Pharmaceuticals Inc. (US) 2001-10-10 EP claimed
WO-2000040552-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 WO claimed
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