SCHEMBL3235281

SCHEMBL3235281

O=C(O)C=CC(=O)OCC(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.54
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
THRB P10828 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
MDM4 O15151 1/20 0.37
MDM2 Q00987 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
SCHEMBL3235268 0.95 HCAR2 (0.46) HCAR2ALDH1A1LMNATHRBMAPT
SCHEMBL28450602 0.82 THRB (0.57) ALDH1A1THRBPPARGPPARA
SCHEMBL9780112 0.79 PPARG (0.42) SMN1; SMN2ALDH1A1LMNAPPARGPPARA
SCHEMBL28803459 0.78 HCAR2 (0.59) HCAR2KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL2962185 0.78 HCAR2 (0.59) HCAR2KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL9780116 0.76 PPARG (0.41) SMN1; SMN2ALDH1A1LMNAPPARGPPARA
SCHEMBL28412757 0.76 TDP1 (0.43) SMN1; SMN2ALDH1A1MAPTPPARGPPARA
SCHEMBL5355849 0.75 THRB (0.53) ALDH1A1THRBMAPTPPARGPPARA
SCHEMBL8431404 0.75 ALDH1A1 (0.58) KDM4ESMN1; SMN2ALDH1A1PPARGPPARA
Medifoxamine SCHEMBL1649943 0.74 LMNA (0.45) HCAR2KDM4ESMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012084061-A1 FRAGRANCE GRANULES FOR DETERGENTS SYMRISE AG (DE) 2012-06-28 WO disclosed
WO-2010022775-A1 MULTI-COLOURED CLEANING ARTICLE SYMRISE GMBH & CO. KG (DE) 2010-03-04 WO disclosed
US-20090253601-A1 FLOATING COMBI-BAR AND MIXTURE FOR PRODUCING SAME SYMRISE GMBH & CO. KG (DE) 2009-10-08 US disclosed
EP-1957624-A1 FLOATING COMBI-BAR AND MIXTURE FOR PRODUCING SAME Symrise GmbH & Co. KG (DE) 2008-08-20 EP disclosed
WO-2007042078-A1 FLOATING COMBI-BAR AND MIXTURE FOR PRODUCING SAME SYMRISE GMBH & CO. KG (DE) 2007-04-19 WO disclosed