SCHEMBL4604906

SCHEMBL4604906

CCCCOc1cc(C(I)=C(C)C(=O)O)ccc1-c1cccc(CNCC(=O)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
FFAR1 O14842 8/20 0.39
PTPN11 Q06124 3/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
EGFR P00533 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
SCHEMBL4209272 0.83 KDM4E (0.41) KDM4EFFAR1PTPN11FNTAFNTB
SCHEMBL4219792 0.83 KDM4E (0.41) KDM4EFFAR1PTPN11FNTAFNTB
SCHEMBL4219912 0.81 ALOX5 (0.39) KDM4EFFAR1PTPN11FNTAFNTB
SCHEMBL4211976 0.79 MEN1 (0.37) KDM4EFFAR1PTPN11SMN1; SMN2ALDH1A1
SCHEMBL4211967 0.79 MEN1 (0.37) KDM4EFFAR1PTPN11SMN1; SMN2ALDH1A1
SCHEMBL4990240 0.79 FFAR1 (0.48) FFAR1PTPN11
SCHEMBL4216973 0.77 EPHX2 (0.40) KDM4EFFAR1PTPN11FNTAFNTB
SCHEMBL4209368 0.76 LMNA (0.41) KDM4EFFAR1PTPN11ALDH1A1
SCHEMBL4209357 0.76 LMNA (0.41) KDM4EFFAR1PTPN11ALDH1A1
SCHEMBL4361055 0.70 KDM4E (0.38) KDM4EFFAR1PTPN11SMN1; SMN2ALDH1A1

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-1943213-A2 PPAR MODULATING BIAROMATIC COMPOUNDS Galderma Research & Development (FR) 2008-07-16 EP disclosed
WO-2007049158-A2 PPAR MODULATING BIAROMATIC COMPOUNDS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-05-03 WO disclosed