SCHEMBL526340

SCHEMBL526340

COc1ccc(Oc2ccc([C@@H](O)[C@H](CCn3nnc4ccccc4c3=O)C(=O)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 5/20 0.55
KMT2A Q03164 3/20 0.52
HPGD P15428 1/20 0.52
ALDH1A1 P00352 3/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 1/20 0.48
MMP13 P45452 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 2/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL526341 1.00 GPR139 (0.55) GPR139KMT2AHPGDALDH1A1MMP1
SCHEMBL527769 0.94 GPR139 (0.51) GPR139KMT2AHPGDALDH1A1MMP1
SCHEMBL527770 0.94 GPR139 (0.51) GPR139KMT2AHPGDALDH1A1MMP1
SCHEMBL528363 0.91 GPR139 (0.50) GPR139KMT2AALDH1A1MMP1MMP2
SCHEMBL528362 0.91 GPR139 (0.50) GPR139KMT2AALDH1A1MMP1MMP2
SCHEMBL526247 0.89 NPSR1 (0.50) GPR139KMT2AHPGDALDH1A1MMP1
SCHEMBL527992 0.88 GPR139 (0.51) GPR139KMT2AHPGDALDH1A1MMP1
SCHEMBL12505324 0.86 HPGD (0.53) GPR139KMT2AHPGDALDH1A1KDM4E
SCHEMBL527806 0.86 MMP1 (0.46) GPR139KMT2AALDH1A1MMP1MMP2
SCHEMBL527807 0.86 MMP1 (0.46) GPR139KMT2AALDH1A1MMP1MMP2

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 4 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
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