SCHEMBL9953987

SCHEMBL9953987

CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)(C(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 7/20 0.48
PPARA Q07869 7/20 0.48
HDAC11 Q96DB2 5/20 0.48
TSHR P16473 4/20 0.48
PTPN1 P18031 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 1/20 0.48
ESR1 P03372 1/20 0.48
ALOX15 P16050 1/20 0.48
PDE4A P27815 1/20 0.48
KMT2A Q03164 1/20 0.48
PDE3A Q14432 1/20 0.48

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
SCHEMBL3213688 1.00 CES2 (0.48) CES2GPR84PPARGPPARDPPARA
SCHEMBL5279943 1.00 CES2 (0.48) CES2GPR84PPARGPPARDPPARA
SCHEMBL338291 1.00 CES2 (0.48) CES2GPR84PPARGPPARDPPARA
SCHEMBL5860239 1.00 CES2 (0.48) CES2GPR84PPARGPPARDPPARA
SCHEMBL11071652 1.00 CES2 (0.48) CES2GPR84PPARGPPARDPPARA
SCHEMBL2231045 1.00 CES2 (0.48) CES2GPR84PPARGPPARDPPARA
SCHEMBL5859421 1.00 CES2 (0.48) CES2GPR84PPARGPPARDPPARA
SCHEMBL344074 1.00 CES2 (0.48) CES2GPR84PPARGPPARDPPARA
SCHEMBL21269866 1.00 CES2 (0.48) CES2GPR84PPARGPPARDPPARA
SCHEMBL337636 1.00 CES2 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655511-A1 THERMOPLASTIC ELASTOMER COMPOSITION AND METHOD FOR THE PRODUCTION THEREOF BASF SE (DE) 2013-10-30 EP disclosed
WO-2012084914-A1 THERMOPLASTIC ELASTOMER COMPOSITION AND METHOD FOR THE PRODUCTION THEREOF BASF SE (DE) 2012-06-28 WO disclosed