SCHEMBL5690491

SCHEMBL5690491

CCCCCCC(C)(C)OC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 7/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 7/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41
PDE4A P27815 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL608718 0.98 CES2 (0.39) CES2GPR84PPARGPPARDPPARA
SCHEMBL608106 0.91 CA2 (0.36) GPR84PPARGPPARDPPARAHDAC11
Ammonia Solution, Strong SCHEMBL29208117 0.89 CA2 (0.35) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL2702394 0.85 CES2 (0.44) CES2GPR84PPARGPPARDPPARA
SCHEMBL3788094 0.85 CES2 (0.44) CES2GPR84PPARGPPARDPPARA
SCHEMBL7782352 0.85 CES2 (0.44) CES2GPR84PPARGPPARDPPARA
SCHEMBL11839463 0.85 CES2 (0.44) CES2GPR84PPARGPPARDPPARA
SCHEMBL14933766 0.83 GAA (0.43) CES2ALDH1A1MEN1KMT2AGGPS1
SCHEMBL573190 0.83 GAA (0.43) CES2ALDH1A1MEN1KMT2AGGPS1
SCHEMBL29175476 0.83 CES2 (0.42) CES2GPR84PPARGPPARDPPARA

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
EP-1226195-B1 METHOD FOR PRODUCING CHROMOPHORE AND/OR EFFECT GIVING MULTILAYER LACQUERS USING SELF CROSS-LINKING GRAFT COPOLYMERS OF POLYURETHANE BASF COATINGS AG (DE) 2006-05-17 EP disclosed
EP-1226198-B1 SELF CROSSLINKING POLYURETHANES AND GRAFT COPOLYMERS BASED ON POLYURETHANE, FOR PRODUCING COATING MATERIALS, ADHESIVES AND SEALING MASSES BASF COATINGS AG (DE) 2006-03-29 EP disclosed
EP-1218434-B1 GRAFT MIXED POLYMERS BASED ON POLYURETHANE AND THEIR USE FOR PRODUCING COATING MATERIALS, ADHESIVES AND SEALING MASSES BASF COATINGS AG (DE) 2006-03-29 EP disclosed
EP-1309637-B1 POLYURETHANES AND GRAFT COPOLYMERS BASED ON POLYURETHANE, AND THEIR USE FOR PRODUCING COATING MATERIALS, ADHESIVES, AND SEALING COMPOUNDS BASF COATINGS AG (DE) 2005-10-12 EP disclosed
EP-0798337-A2 Preserved and stabilised natural latex, preparation thereof and use of water-soluble carboxylic salts for its preservation and stabilisation Schill & Seilacher GmbH & Co. (DE) 1997-10-01 EP disclosed