SCHEMBL6158836

SCHEMBL6158836

CN(C(=O)Nc1ccc2ccccc2c1)c1cccc(-c2ccc(CCN(C(=O)O)c3ccccc3C(=O)O)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
HCAR2 Q8TDS4 6/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC1 Q13547 2/20 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
SCHEMBL2083890 0.82 FFAR1 (0.50) KDM4EGAAALDH1A1LMNAMAPT
SCHEMBL5366322 0.79 FTO (0.47) KDM4EGAAALDH1A1HPGDGLA
SCHEMBL3439124 0.78 PPARG (0.44) HCAR2
SCHEMBL3439126 0.78 PPARG (0.44) HCAR2
SCHEMBL2085573 0.76 GAA (0.43) KDM4EGAAALDH1A1LMNAMAPT
SCHEMBL5365602 0.76 ROCK2 (0.44) KDM4EGAAALDH1A1ROCK2ROCK1
SCHEMBL2859254 0.76 KDM4E (0.37) KDM4EGAAALDH1A1HPGDGLA
SCHEMBL3439123 0.75 MME (0.45) KDM4EGAALMNAMAPTMAPK1
SCHEMBL3439142 0.74 MME (0.44) KDM4EGAALMNAMAPTMAPK1
SCHEMBL5361579 0.74 KDM4E (0.46) KDM4EGAAALDH1A1HPGDLMNA

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-1575911-A2 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-09-21 EP claimed
WO-2004046091-A2 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-03 WO claimed