SCHEMBL528363

SCHEMBL528363

O=C(O)[C@@H](CCn1nnc2ccccc2c1=O)C(O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 5/20 0.50
MMP1 P03956 3/20 0.48
MMP2 P08253 3/20 0.48
MMP3 P08254 3/20 0.48
MMP9 P14780 3/20 0.48
MMP13 P45452 3/20 0.48
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL528362 1.00 GPR139 (0.50) GPR139MMP1MMP2MMP3MMP9
SCHEMBL530605 0.91 NPC1 (0.46) GPR139MMP1MMP2MMP3MMP9
SCHEMBL530606 0.91 NPC1 (0.46) GPR139MMP1MMP2MMP3MMP9
SCHEMBL526340 0.91 GPR139 (0.55) GPR139MMP1MMP2MMP3MMP9
SCHEMBL526341 0.91 GPR139 (0.55) GPR139MMP1MMP2MMP3MMP9
SCHEMBL527807 0.90 MMP1 (0.46) GPR139MMP1MMP2MMP3MMP9
SCHEMBL527806 0.90 MMP1 (0.46) GPR139MMP1MMP2MMP3MMP9
SCHEMBL526083 0.89 NPC1 (0.54) GPR139MMP1MMP2MMP3MMP9
SCHEMBL527769 0.87 GPR139 (0.51) GPR139MMP1MMP2MMP3MMP9
SCHEMBL527770 0.87 GPR139 (0.51) 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-2598493-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-06-05 EP claimed
WO-2012014114-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed