SCHEMBL4219863

SCHEMBL4219863

O=C(O)C(CCn1c(=O)oc2ccccc2c1=O)C(O)CCc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
IDO1 P14902 4/20 0.41
MAPT P10636 4/20 0.41
HDAC1 Q13547 1/20 0.39
TP53 P04637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTR1A P08908 2/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
PTPN1 P18031 1/20 0.36

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
SCHEMBL4219866 1.00 MMP12 (0.42) MMP12MMP13IDO1MAPTHDAC1
SCHEMBL1839910 1.00 MMP12 (0.42) MMP12MMP13IDO1MAPTHDAC1
SCHEMBL1841168 0.84 L3MBTL1 (0.37) MMP12MMP13MAPTALDH1A1HTR1A
SCHEMBL379427 0.82 ALDH1A1 (0.55) IDO1MAPTALDH1A1LMNATSHR
SCHEMBL875547 0.80 PPARG (0.53) IDO1MAPTHDAC1TP53ALDH1A1
SCHEMBL15733064 0.78 PTPN1 (0.52) PTPN1
SCHEMBL379534 0.76 MMP2 (0.57) MMP13
SCHEMBL4923108 0.76 MMP2 (0.57) MMP13
SCHEMBL379128 0.76 MMP2 (0.57) MMP13
SCHEMBL379943 0.76 MMP2 (0.57) MMP13

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