SCHEMBL526248

SCHEMBL526248

COc1cccc(OC)c1C(=O)Nc1ccc(OC[C@H](CCn2nnc3ccccc3c2=O)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.58
MMP2 P08253 3/20 0.58
MMP3 P08254 3/20 0.58
MMP9 P14780 3/20 0.58
MMP13 P45452 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GPR139 Q6DWJ6 4/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 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
SCHEMBL527862 0.84 MMP2 (0.59) MMP1MMP2MMP3MMP9MMP13
SCHEMBL528311 0.84 MMP1 (0.58) MMP1MMP2MMP3MMP9MMP13
SCHEMBL526250 0.83 KMT2A (0.48) KMT2AMEN1KDM4EGPR139TSHR
SCHEMBL526249 0.83 KMT2A (0.48) KMT2AMEN1KDM4EGPR139TSHR
SCHEMBL527660 0.83 MMP1 (0.57) MMP1MMP2MMP3MMP9MMP13
SCHEMBL874772 0.82 KMT2A (0.47) KMT2AMEN1KDM4EGPR139TSHR
SCHEMBL7223278 0.81 MMP2 (0.82) MMP1MMP2MMP3MMP9MMP13
SCHEMBL7231571 0.80 MMP2 (0.71) MMP1MMP2MMP3MMP9MMP13
SCHEMBL528213 0.80 MMP2 (0.57) MMP1MMP2MMP3MMP9MMP13
SCHEMBL7224963 0.78 MMP2 (0.81) 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 disclosed
WO-2012014114-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed