SCHEMBL4212980

SCHEMBL4212980

COc1ccc(-c2ccc(CC[C@@H](O)C(CCn3nnc4ccccc4c3=O)C(=O)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 6/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.54
MMP1 P03956 4/20 0.52
MMP2 P08253 4/20 0.52
MMP3 P08254 4/20 0.52
MMP9 P14780 4/20 0.52
MMP13 P45452 4/20 0.52
KMT2A Q03164 3/20 0.50
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.44
ATM Q13315 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
RAB9A P51151 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1841392 1.00 GPR139 (0.55) GPR139ALDH1A1HPGDMMP1MMP2
SCHEMBL1844605 1.00 GPR139 (0.55) GPR139ALDH1A1HPGDMMP1MMP2
SCHEMBL379526 1.00 GPR139 (0.55) GPR139ALDH1A1HPGDMMP1MMP2
Bicarbonate SCHEMBL4213744 0.97 GPR139 (0.52) GPR139ALDH1A1HPGDMMP1MMP2
Bicarbonate SCHEMBL4213745 0.97 GPR139 (0.52) GPR139ALDH1A1HPGDMMP1MMP2
SCHEMBL1841540 0.92 GPR139 (0.57) GPR139ALDH1A1MMP1MMP2MMP3
SCHEMBL4216415 0.92 GPR139 (0.57) GPR139ALDH1A1MMP1MMP2MMP3
SCHEMBL379512 0.92 GPR139 (0.57) GPR139ALDH1A1MMP1MMP2MMP3
SCHEMBL1844889 0.91 GPR139 (0.49) GPR139ALDH1A1HPGDMMP1MMP2
SCHEMBL1843453 0.91 GPR139 (0.45) GPR139ALDH1A1HPGDMMP1MMP2

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-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP claimed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 WO claimed