SCHEMBL526247

SCHEMBL526247

COc1ccc(Oc2ccc([C@@H](O)[C@H](CCn3nnc4ccccc4c3=O)C(=O)O)cc2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
GPR139 Q6DWJ6 6/20 0.49
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MMP1 P03956 2/20 0.43
MMP2 P08253 2/20 0.43
MMP3 P08254 2/20 0.43
MMP9 P14780 2/20 0.43
MMP13 P45452 2/20 0.43
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL526083 0.90 NPC1 (0.54) NPSR1GPR139MAPTKMT2AALDH1A1
SCHEMBL526340 0.89 GPR139 (0.55) NPSR1GPR139TSHRKMT2AHPGD
SCHEMBL526341 0.89 GPR139 (0.55) NPSR1GPR139TSHRKMT2AHPGD
SCHEMBL527769 0.88 GPR139 (0.51) NPSR1GPR139TSHRKMT2AHPGD
SCHEMBL527770 0.88 GPR139 (0.51) NPSR1GPR139TSHRKMT2AHPGD
SCHEMBL530606 0.84 NPC1 (0.46) NPSR1GPR139KMT2AALDH1A1MMP1
SCHEMBL530605 0.84 NPC1 (0.46) NPSR1GPR139KMT2AALDH1A1MMP1
SCHEMBL526592 0.84 NPC1 (0.43) NPSR1GPR139MAPTKMT2AALDH1A1
SCHEMBL526342 0.82 GPR139 (0.47) NPSR1GPR139KMT2AHPGDALDH1A1
SCHEMBL528363 0.82 GPR139 (0.50) NPSR1GPR139KMT2AALDH1A1MMP1

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