SCHEMBL4846094

SCHEMBL4846094

Cc1cc(OCc2ccccc2)cc(OCC2CCCCC2)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.47
FFAR1 O14842 7/20 0.47
PPARD Q03181 5/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
F2 P00734 1/20 0.43
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
ELANE P08246 1/20 0.41
KAT6A Q92794 1/20 0.40
NR4A2 P43354 1/20 0.40

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
SCHEMBL4849889 0.89 F2 (0.52) C5AR1FFAR1PPARDMEN1KMT2A
SCHEMBL1842000 0.84 MEN1 (0.56) FFAR1MEN1KMT2AMRGPRX4NR4A2
SCHEMBL7907804 0.81 PARP10 (0.54) C5AR1FFAR1PPARDMEN1KMT2A
SCHEMBL31643437 0.81 MEN1 (0.52) FFAR1MEN1KMT2AMRGPRX4NR4A2
SCHEMBL22490923 0.80 MEN1 (0.54) MEN1KMT2AMRGPRX4NR4A2
SCHEMBL597702 0.79 MEN1 (0.63) FFAR1MEN1KMT2AMRGPRX4S1PR1
SCHEMBL4849892 0.79 C5AR1 (0.44) C5AR1FFAR1PPARDMEN1KMT2A
SCHEMBL31644137 0.79 MEN1 (0.50) FFAR1MEN1KMT2AMRGPRX4NR4A2
SCHEMBL4851469 0.78 MEN1 (0.49) C5AR1FFAR1MEN1KMT2AMRGPRX4
SCHEMBL7911253 0.78 PARP10 (0.56) C5AR1FFAR1PPARDMEN1KMT2A

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 6 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-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
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