SCHEMBL4226831

SCHEMBL4226831

Cc1ccc2c(=O)n(CCC(C(=O)O)[C@H](O)CCc3ccc(-c4cnn(C)c4)cc3)nnc2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 5/20 0.40
TEK Q02763 2/20 0.37
KDR P35968 1/20 0.37
EPHB4 P54760 1/20 0.37
BRD4 O60885 1/20 0.37
MET P08581 3/20 0.37
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP3 P08254 2/20 0.36
MMP9 P14780 2/20 0.36
MMP13 P45452 2/20 0.36
EP300 Q09472 4/20 0.36
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
LRRK2 Q5S007 1/20 0.35
HAT1 O14929 2/20 0.35
MST1R Q04912 1/20 0.34

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
SCHEMBL1841271 1.00 GPR139 (0.40) GPR139TEKKDREPHB4BRD4
SCHEMBL1841473 0.93 GPR139 (0.40) GPR139TEKKDREPHB4MET
SCHEMBL4218121 0.93 GPR139 (0.40) GPR139TEKKDREPHB4MET
SCHEMBL1843451 0.92 GPR139 (0.46) GPR139MMP1MMP2MMP3MMP9
SCHEMBL1844124 0.91 MMP2 (0.42) GPR139METMMP1MMP2MMP3
SCHEMBL1843415 0.90 GPR139 (0.39) GPR139BRD4MMP1MMP2MMP3
SCHEMBL4927195 0.90 GPR139 (0.45) GPR139MMP1MMP2MMP3MMP9
SCHEMBL1843081 0.89 GPR139 (0.47) GPR139MMP1MMP2MMP3MMP9
SCHEMBL4204897 0.89 GPR139 (0.47) GPR139MMP1MMP2MMP3MMP9
SCHEMBL4204895 0.89 GPR139 (0.47) GPR139MMP1MMP2MMP3MMP9

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-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP disclosed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 WO disclosed