SCHEMBL4841602

SCHEMBL4841602

COC(=O)CCCCCc1cccc(C(O[SiH2]C(C)(C)C)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.41
HDAC1 Q13547 2/20 0.41
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CES1 P23141 5/20 0.38
ALOX5 P09917 2/20 0.38
HDAC2 Q92769 1/20 0.38
FAAH O00519 3/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 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
SCHEMBL4850556 0.90 MAPT (0.50) HDAC6HDAC1PPARGPPARAMAPT
SCHEMBL9591239 0.80 HDAC1 (0.48) HDAC6HDAC1PPARGPPARACYP4F2
SCHEMBL9764517 0.75 MAPT (0.65) HDAC6HDAC1MAPTRXFP1CES1
SCHEMBL5966475 0.75 MAPT (0.65) HDAC6HDAC1MAPTRXFP1CES1
SCHEMBL9404082 0.75 MAPT (0.65) HDAC6HDAC1MAPTRXFP1CES1
SCHEMBL29048467 0.75 MAPT (0.65) HDAC6HDAC1MAPTRXFP1CES1
SCHEMBL9404041 0.75 MAPT (0.65) HDAC6HDAC1MAPTRXFP1CES1
SCHEMBL8662111 0.75 MAPT (0.65) HDAC6HDAC1MAPTRXFP1CES1
SCHEMBL20717644 0.75 MAPT (0.65) HDAC6HDAC1MAPTRXFP1CES1
SCHEMBL9219599 0.75 MAPT (0.65) HDAC6HDAC1MAPTRXFP1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
US-6635655-B1 Agonists or antagonists of peroxisome proliferator-activated receptors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-21 US disclosed
EP-1177187-A1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064888-A1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed