SCHEMBL4849892

SCHEMBL4849892

CCc1c(OCc2ccccc2)cc(C)c(C(=O)O)c1OCC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.44
F2 P00734 1/20 0.43
FFAR1 O14842 3/20 0.40
PPARD Q03181 3/20 0.40
SGMS2 Q8NHU3 1/20 0.40
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PTPN1 P18031 1/20 0.38
PTGER1 P34995 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL4846094 0.79 C5AR1 (0.47) C5AR1F2FFAR1PPARDSGMS2
SCHEMBL4848208 0.77 MAPT (0.47) ALDH1A1RXRARXRBRXRGFFAR4
SCHEMBL31643799 0.75 RXRA (0.48) ALDH1A1RXRARXRBRXRGFFAR4
SCHEMBL4849889 0.73 F2 (0.52) C5AR1F2FFAR1PPARDMEN1
SCHEMBL31638787 0.72 RXRA (0.52) RXRARXRBRXRGFFAR4PTPN1
SCHEMBL7317868 0.71 PARP10 (0.57) C5AR1FFAR1PPARDSGMS2MEN1
SCHEMBL7322019 0.71 C5AR1 (0.48) C5AR1FFAR1PPARDSGMS2MEN1
SCHEMBL31644014 0.70 HPGD (0.48) MEN1KMT2ARXRARXRBRXRG
SCHEMBL10659236 0.70 RXRA (0.52) MEN1KMT2ARXRARXRBRXRG
SCHEMBL7907804 0.69 PARP10 (0.54) C5AR1FFAR1PPARDSGMS2MEN1

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