SCHEMBL873973

SCHEMBL873973

Cc1ccc2c(=O)n(CCC(C(=O)O)N(c3ccc(-c4ccc(Cl)cc4)cc3)S(C)(=O)=O)c(=O)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 3/20 0.42
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GLA P06280 1/20 0.35
ACHE P22303 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 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
SCHEMBL873568 0.78 GPR139 (0.44) MMP1MMP2MMP3MMP9MMP13
SCHEMBL874425 0.78 MMP2 (0.48) MMP2MMP3MMP9MMP13
SCHEMBL874957 0.76 CRY1 (0.41) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL874812 0.75 GPR139 (0.46) KDM4ESMN1; SMN2MMP1MMP2MMP3
SCHEMBL877441 0.73 GPR139 (0.44) KDM4EMAPTMMP1MMP2MMP3
SCHEMBL876635 0.70 MMP2 (0.52) KDM4EHPGDALDH1A1MMP1MMP2
SCHEMBL877971 0.70 MMP2 (0.52) KDM4EHPGDALDH1A1MMP1MMP2
SCHEMBL874766 0.69 GPR139 (0.39) KDM4ESMN1; SMN2MMP1MMP2MMP3
SCHEMBL4059596 0.68 MMP2 (0.47) MAPTSMN1; SMN2MMP2MMP9
SCHEMBL877592 0.67 MMP2 (0.41) ALDH1A1MMP1MMP2MMP3MMP9

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 disclosed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed