SCHEMBL4616068

SCHEMBL4616068

COc1ccc(CNC(=O)c2cccc(Oc3ccc(O)c(C)c3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.57
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
USP2 O75604 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPK14 Q16539 1/20 0.52
LMNA P02545 1/20 0.52
PDGFRB P09619 1/20 0.52
FLT4 P35916 1/20 0.52
ERN1 O75460 1/20 0.51
EPHX2 P34913 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL4616063 0.89 MMP13 (0.57) MMP13MEN1KMT2AALDH1A1USP2
SCHEMBL4614558 0.87 MAPK14 (0.64) MAPK14
SCHEMBL9416562 0.85 MMP13 (0.76) MMP13MEN1KMT2AALDH1A1USP2
SCHEMBL5429402 0.83 MMP13 (0.53) MMP13MEN1KMT2AALDH1A1USP2
SCHEMBL4616524 0.83 PPARG (0.59) MMP13NPC1RAB9AMAPK14
SCHEMBL5331977 0.83 MMP13 (0.76) MMP13MEN1KMT2AALDH1A1HPGD
SCHEMBL4615804 0.81 PPARA (0.72) MMP13
SCHEMBL18773965 0.80 NPC1 (0.64) MMP13MEN1KMT2AALDH1A1GAA
SCHEMBL26625669 0.80 MMP13 (0.64) MMP13MEN1KMT2AALDH1A1HPGD
SCHEMBL5332456 0.79 MMP13 (0.89) MMP13MEN1KMT2AALDH1A1USP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed