SCHEMBL4042365

SCHEMBL4042365

Cc1ccc(-c2ccc(CC[C@@H](O)C(CCn3nnc4ccccc4c3=O)C(=O)O)cc2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 4/20 0.46
MMP2 P08253 4/20 0.45
MMP3 P08254 4/20 0.45
MMP9 P14780 4/20 0.45
MMP13 P45452 4/20 0.45
MMP1 P03956 3/20 0.45
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
PTBP1 P26599 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL1843118 1.00 GPR139 (0.46) GPR139MMP2MMP3MMP9MMP13
SCHEMBL4566787 0.92 GPR139 (0.47) GPR139MMP2MMP3MMP9MMP13
SCHEMBL4566786 0.92 GPR139 (0.47) GPR139MMP2MMP3MMP9MMP13
SCHEMBL1842858 0.92 GPR139 (0.47) GPR139MMP2MMP3MMP9MMP13
SCHEMBL4210499 0.92 MMP2 (0.49) GPR139MMP2MMP3MMP9MMP13
SCHEMBL379315 0.92 MMP2 (0.49) GPR139MMP2MMP3MMP9MMP13
SCHEMBL1841931 0.92 MMP2 (0.49) GPR139MMP2MMP3MMP9MMP13
SCHEMBL1845723 0.91 GPR139 (0.40) GPR139MMP2MMP3MMP9MMP13
SCHEMBL1840352 0.91 MMP2 (0.36) GPR139MMP2MMP3MMP9MMP13
SCHEMBL4038095 0.90 MMP2 (0.49) GPR139MMP2MMP3MMP9MMP13

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