SCHEMBL529547

SCHEMBL529547

CC(C)(C)c1ccc(Oc2ccc([C@@H](O)[C@H](CCn3nnc4ccccc4c3=O)C(=O)O)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 11/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL526342 0.91 GPR139 (0.47) GPR139MMP1MMP2MMP3MMP9
SCHEMBL530605 0.89 NPC1 (0.46) GPR139MMP1MMP2MMP3MMP9
SCHEMBL530606 0.89 NPC1 (0.46) GPR139MMP1MMP2MMP3MMP9
SCHEMBL526592 0.87 NPC1 (0.43) GPR139MMP1MMP2MMP3MMP9
SCHEMBL526083 0.82 NPC1 (0.54) GPR139MMP1MMP2MMP3MMP9
SCHEMBL528362 0.82 GPR139 (0.50) GPR139MMP1MMP2MMP3MMP9
SCHEMBL528363 0.82 GPR139 (0.50) GPR139MMP1MMP2MMP3MMP9
SCHEMBL527806 0.81 MMP1 (0.46) GPR139MMP1MMP2MMP3MMP9
SCHEMBL527807 0.81 MMP1 (0.46) GPR139MMP1MMP2MMP3MMP9
SCHEMBL526247 0.80 NPSR1 (0.50) 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