SCHEMBL4036787

SCHEMBL4036787

COc1ccc(-c2ccc(CC[C@@H](O)C(CCn3c(=O)[nH]c4ccccc4c3=O)C(=O)O)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 2/20 0.41
RIOK2 Q9BVS4 1/20 0.39
LMNA P02545 1/20 0.39
MAPK10 P53779 1/20 0.39
SLC18A2 Q05940 1/20 0.39
MAPT P10636 1/20 0.38
ALOX5AP P20292 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL1842902 1.00 MMP1 (0.46) MMP1MMP2MMP3MMP9MMP13
SCHEMBL4040784 1.00 MMP1 (0.46) MMP1MMP2MMP3MMP9MMP13
SCHEMBL379356 0.87 MMP1 (0.53) MMP1MMP2MMP3MMP9MMP13
SCHEMBL1841168 0.84 L3MBTL1 (0.37) MMP13KDM4EALDH1A1PIK3CAKMT2A
SCHEMBL380092 0.81 MMP2 (0.47) MMP1MMP2MMP3MMP9MMP13
SCHEMBL379268 0.81 MMP2 (0.47) MMP1MMP2MMP3MMP9MMP13
SCHEMBL379926 0.81 MMP2 (0.47) MMP1MMP2MMP3MMP9MMP13
SCHEMBL379484 0.81 MMP2 (0.47) MMP1MMP2MMP3MMP9MMP13
SCHEMBL379148 0.81 MMP2 (0.47) MMP1MMP2MMP3MMP9MMP13
SCHEMBL1842010 0.80 MMP2 (0.47) MMP2MMP3MMP9MMP13PIK3CA

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 disclosed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 WO disclosed