SCHEMBL4841588

SCHEMBL4841588

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
P2RY12 Q9H244 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
HPGD P15428 1/20 0.36
CES1 P23141 4/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALOX5 P09917 2/20 0.36
HDAC2 Q92769 1/20 0.36
LMNA P02545 1/20 0.35
FAAH O00519 2/20 0.35

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
SCHEMBL4848837 0.91 CYSLTR2 (0.49) CYSLTR2CYSLTR1HDAC1HDAC6PPARG
SCHEMBL4848474 0.85 CYP4F2 (0.39) CYSLTR2CYSLTR1PPARGPPARA
SCHEMBL879176 0.76 HDAC6 (0.50) CYSLTR2CYSLTR1HDAC1HDAC6PDE3B
SCHEMBL6885108 0.73 CYP4F2 (0.42) HDAC1HDAC6ADRB2ADRB1ADRB3
SCHEMBL6885094 0.73 CYP4F2 (0.42) HDAC1HDAC6ADRB2ADRB1ADRB3
SCHEMBL9764517 0.73 MAPT (0.65) HDAC1HDAC6CES1MAPTRXFP1
SCHEMBL9219599 0.73 MAPT (0.65) HDAC1HDAC6CES1MAPTRXFP1
SCHEMBL20717644 0.73 MAPT (0.65) HDAC1HDAC6CES1MAPTRXFP1
SCHEMBL8662111 0.73 MAPT (0.65) HDAC1HDAC6CES1MAPTRXFP1
SCHEMBL9404041 0.73 MAPT (0.65) HDAC1HDAC6CES1MAPTRXFP1

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