SCHEMBL11993095

SCHEMBL11993095

Cc1ccccc1SCCC(Oc1ccc2oc3ccccc3c2c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
PTGER4 P35408 1/20 0.44
PTPN1 P18031 9/20 0.43
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PTPRF P10586 1/20 0.40
PTPRA P18433 1/20 0.40
PTPN7 P35236 1/20 0.40
DUSP3 P51452 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 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
SCHEMBL3971665 0.91 PTPN1 (0.45) LMNAPTGER4PTPN1PPARGPPARA
SCHEMBL3976050 0.84 LMNA (0.46) LMNAPTGER4PTPN1PPARGPPARA
SCHEMBL11993053 0.80 NPC1 (0.55) PPARGPPARA
SCHEMBL6904181 0.79 PTPN1 (0.38) LMNAPTGER4PTPN1PPARGPPARA
SCHEMBL3969193 0.79 PPARG (0.45) PPARGPPARAMAPT
SCHEMBL3971631 0.79 PPARG (0.53) PPARGPPARA
SCHEMBL13418750 0.78 PTPN1 (0.63) LMNAPTGER4PTPN1PPARGPPARA
SCHEMBL11993106 0.77 PPARG (0.46) PPARGPPARANPSR1ALDH1A1KDM4E
SCHEMBL11992997 0.76 PPARG (0.43) PPARGPPARA
Pemaglitazar SCHEMBL29908544 0.76 PPARG (0.56) PTPN1PPARGPPARA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412326-B1 BUTYRIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2012-08-22 EP disclosed
US-7491747-B2 4-(Arylthio)- or (4-heteroarylthio)butyric acid derivatives that may be used in the treatment of dyslipidaemia, atherosclerosis and diabetes MERCK PATENT GMBH (DE) 2009-02-17 US disclosed
US-7491747-B2 4-(Arylthio)- or (4-heteroarylthio)butyric acid derivatives that may be used in the treatment of dyslipidaemia, atherosclerosis and diabetes MERCK PATENT GMBH (DE) 2009-02-17 US disclosed