SCHEMBL874957

SCHEMBL874957

Cn1c(=O)n(CCC(C(=O)O)N(c2ccc(-c3ccc(Cl)cc3)cc2)S(C)(=O)=O)c(=O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRY1 Q16526 1/20 0.41
CRY2 Q49AN0 1/20 0.41
TNF P01375 1/20 0.40
MMP2 P08253 4/20 0.38
MMP9 P14780 4/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HDAC1 Q13547 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 2/20 0.36
BACE1 P56817 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ERCC1 P07992 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL877971 0.78 MMP2 (0.52) MMP2MMP9KMT2AALDH1A1HPGD
SCHEMBL876635 0.78 MMP2 (0.52) MMP2MMP9KMT2AALDH1A1HPGD
SCHEMBL1380883 0.77 MMP2 (0.54) MMP2MMP9ADAMTS5
SCHEMBL873973 0.76 KDM4E (0.42) MMP2MMP9ALDH1A1HSD17B10MAPT
SCHEMBL877478 0.74 GPR139 (0.50) MMP2MMP9KMT2AALDH1A1HPGD
SCHEMBL1377157 0.74 MMP2 (0.52) MMP2MMP9ADAMTS5
SCHEMBL1380422 0.73 MMP2 (0.54) MMP2MMP9ADAMTS5
SCHEMBL1380421 0.73 MMP2 (0.54) MMP2MMP9ADAMTS5
SCHEMBL1378295 0.72 MMP2 (0.54) MMP2MMP9ADAMTS5LMNAKDM4E
SCHEMBL1378296 0.72 MMP2 (0.54) MMP2MMP9ADAMTS5LMNAKDM4E

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-2619179-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP claimed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO claimed