SCHEMBL6904181

SCHEMBL6904181

Cc1ccc(SCCC(Oc2ccc3oc4ccccc4c3c2)C(=O)O)c(C)c1.Cc1cccc(SCCC(Oc2ccc(OC(F)(F)F)cc2)C(=O)O)c1.Cc1cccc(SCCC(Oc2ccc3oc4ccccc4c3c2)C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.38
PPARG P37231 5/20 0.36
PPARA Q07869 5/20 0.36
LMNA P02545 2/20 0.35
PTGER4 P35408 1/20 0.34
PPARD Q03181 1/20 0.33
ESR1 P03372 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PTPRF P10586 1/20 0.33
PTPRA P18433 1/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33

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 0.87 PTPN1 (0.45) PTPN1PPARGPPARALMNAPTGER4
SCHEMBL3976050 0.86 LMNA (0.46) PTPN1PPARGPPARALMNAPTGER4
SCHEMBL3973021 0.83 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL11993095 0.79 LMNA (0.47) PTPN1PPARGPPARALMNAPTGER4
SCHEMBL11992997 0.76 PPARG (0.43) PPARGPPARA
SCHEMBL6903473 0.75 PPARG (0.44) PTPN1PPARGPPARAPPARD
SCHEMBL3968405 0.74 PPARG (0.48) PTPN1PPARGPPARALMNAPPARD
SCHEMBL3976202 0.74 PPARG (0.51) PTPN1PPARGPPARAPPARD
SCHEMBL11993021 0.74 PPARG (0.51) PTPN1PPARGPPARAPPARD
SCHEMBL6904184 0.74 KDM4E (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412326-A1 BUTYRIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2004-04-28 EP disclosed
WO-2003011819-A1 BUTYRIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2003-02-13 WO disclosed