SCHEMBL4841595

SCHEMBL4841595

COC(=O)CCCCCc1cccc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CES1 P23141 3/20 0.40
FAAH O00519 4/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
LTB4R Q15722 1/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALOX5 P09917 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL4848823 0.90 MAPT (0.50) HDAC6HDAC1PPARGPPARALTB4R
SCHEMBL4848468 0.84 CYP4F2 (0.41) PPARGPPARALTB4R
SCHEMBL5079142 0.80 LTB4R (0.47) HDAC6HDAC1ALDH1A1LMNAPPARG
SCHEMBL8024035 0.79 CYP4F2 (0.46) PPARGPPARA
SCHEMBL26100458 0.77 LMNA (0.42) KDM4EALDH1A1LMNALTB4RMAPT
SCHEMBL8024443 0.76 MRGPRX4 (0.38) MAPT
SCHEMBL8662111 0.75 MAPT (0.65) HDAC6HDAC1CES1FAAHMAPT
SCHEMBL29048467 0.75 MAPT (0.65) HDAC6HDAC1CES1FAAHMAPT
SCHEMBL9764517 0.75 MAPT (0.65) HDAC6HDAC1CES1FAAHMAPT
SCHEMBL20717644 0.75 MAPT (0.65) HDAC6HDAC1CES1FAAHMAPT

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