SCHEMBL7103731

SCHEMBL7103731

COc1ccc(C)cc1.O=C(NCCc1ccc(Cl)cc1)C(NC(=O)C(S)Cc1ccccc1)C(=O)NCCc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
ADAMTS5 Q9UNA0 1/20 0.51
FPR2 P25090 2/20 0.47
CNR1 P21554 1/20 0.47
PLAAT3 P53816 2/20 0.46
PLAAT5 Q96KN8 2/20 0.46
PLAAT2 Q9NWW9 2/20 0.46
PLAAT4 Q9UL19 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
MMP8 P22894 1/20 0.46
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45
CTSD P07339 1/20 0.45
PTPN1 P18031 1/20 0.43
CAPN1 P07384 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL7099462 0.91 KMT2A (0.60) KMT2AFPR2PLAAT3PLAAT5PLAAT2
SCHEMBL7099460 0.91 KMT2A (0.60) KMT2AFPR2PLAAT3PLAAT5PLAAT2
SCHEMBL7102822 0.91 KMT2A (0.49) KMT2AADAMTS5PLAAT3PLAAT5PLAAT2
SCHEMBL7104049 0.90 KMT2A (0.49) KMT2AADAMTS5PLAAT3PLAAT5PLAAT2
SCHEMBL7104122 0.88 MMP8 (0.55) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL7099381 0.88 MMP8 (0.55) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL7098301 0.88 ADAMTS5 (0.54) KMT2AADAMTS5CNR1PLAAT3PLAAT5
SCHEMBL7104238 0.88 KMT2A (0.48) KMT2ATAAR1NPC1GAARAB9A
SCHEMBL7098639 0.87 LMNA (0.53) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7101188 0.86 KMT2A (0.45) KMT2APLAAT3PLAAT5PLAAT2PLAAT4

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 2 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