SCHEMBL527807

SCHEMBL527807

O=C(O)[C@@H](CCn1nnc2ccccc2c1=O)C(O)c1ccc(Oc2c(F)cccc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.46
MMP2 P08253 2/20 0.46
MMP3 P08254 2/20 0.46
MMP9 P14780 2/20 0.46
MMP13 P45452 2/20 0.46
ALDH1A1 P00352 1/20 0.45
GPR139 Q6DWJ6 8/20 0.45
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL527806 1.00 MMP1 (0.46) MMP1MMP2MMP3MMP9MMP13
SCHEMBL528363 0.90 GPR139 (0.50) MMP1MMP2MMP3MMP9MMP13
SCHEMBL528362 0.90 GPR139 (0.50) MMP1MMP2MMP3MMP9MMP13
SCHEMBL530606 0.87 NPC1 (0.46) MMP1MMP2MMP3MMP9MMP13
SCHEMBL530605 0.87 NPC1 (0.46) MMP1MMP2MMP3MMP9MMP13
SCHEMBL526341 0.86 GPR139 (0.55) MMP1MMP2MMP3MMP9MMP13
SCHEMBL526340 0.86 GPR139 (0.55) MMP1MMP2MMP3MMP9MMP13
SCHEMBL527770 0.84 GPR139 (0.51) MMP1MMP2MMP3MMP9MMP13
SCHEMBL527769 0.84 GPR139 (0.51) MMP1MMP2MMP3MMP9MMP13
SCHEMBL526342 0.83 GPR139 (0.47) MMP1MMP2MMP3MMP9MMP13

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