SCHEMBL4848208

SCHEMBL4848208

CCc1c(OCc2ccccc2)cc(C)c(C(=O)O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
FFAR4 Q5NUL3 1/20 0.46
MCL1 Q07820 1/20 0.44
MRGPRX4 Q96LA9 3/20 0.44
KDM4E B2RXH2 2/20 0.43
FOLH1 Q04609 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
PTGER1 P34995 1/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL31643839 0.87 FFAR4 (0.47) MAPTSMN1; SMN2TDP1L3MBTL1CYP2C9
SCHEMBL31643799 0.85 RXRA (0.48) MAPTSMN1; SMN2TDP1L3MBTL1CYP2C9
SCHEMBL31643734 0.85 MAPT (0.57) MAPTSMN1; SMN2TDP1L3MBTL1CYP2C9
SCHEMBL31643543 0.83 MAPT (0.48) MAPTSMN1; SMN2TDP1L3MBTL1CYP2C9
SCHEMBL31638787 0.79 RXRA (0.52) MAPTSMN1; SMN2TDP1L3MBTL1CYP2C9
SCHEMBL10659236 0.79 RXRA (0.52) MAPTSMN1; SMN2TDP1L3MBTL1CYP2C9
SCHEMBL27705561 0.78 MCL1 (0.58) MAPTSMN1; SMN2TDP1L3MBTL1CYP2C9
SCHEMBL31643861 0.78 TDP1 (0.45) MAPTSMN1; SMN2TDP1L3MBTL1CYP2C9
SCHEMBL31644212 0.77 CYP3A4 (0.45) MAPTSMN1; SMN2TDP1L3MBTL1CYP2C9
SCHEMBL31643803 0.77 CYP4F2 (0.47) MAPTSMN1; SMN2TDP1L3MBTL1CYP2C9

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
CN-1183113-C Tri-aryl acid derivatives as PPAR receptor ligands ���ĵ�˹ҩ��¹����޹�˾ 2005-01-05 CN disclosed
US-6635655-B1 Agonists or antagonists of peroxisome proliferator-activated receptors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-21 US disclosed
CN-1356983-A Tri-aryl acid derivatives as PPAR receptor ligands AVENTIS PHARM PROD INC (DE) 2002-07-03 CN 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