SCHEMBL5137791

SCHEMBL5137791

[CH2]CN(C(=O)CCCCCCCCCC)C(=O)CCCCCCCCCC.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.48
CES1 P23141 4/20 0.48
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 7/20 0.46
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
HDAC11 Q96DB2 5/20 0.46
TSHR P16473 5/20 0.46
ALDH1A1 P00352 4/20 0.46
PTPN1 P18031 3/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
MEN1 O00255 1/20 0.46
ESR1 P03372 1/20 0.46
ALOX15 P16050 1/20 0.46
PDE4A P27815 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL1672820 0.98 CES2 (0.50) CES2CES1GPR84PPARGPPARD
SCHEMBL27083073 0.87 TERT (0.58) PPARGPPARDPPARAPTPN1TDP1
SCHEMBL11719859 0.81 ALDH1A1 (0.52) CES2CES1GPR84PPARGPPARD
SCHEMBL2268943 0.81 ALDH1A1 (0.52) CES2CES1GPR84PPARGPPARD
SCHEMBL28917589 0.80 CES2 (0.54) CES2CES1GPR84PPARGPPARD
SCHEMBL8024593 0.80 CES2 (0.54) CES2CES1GPR84PPARGPPARD
SCHEMBL8848803 0.80 CES2 (0.54) CES2CES1GPR84PPARGPPARD
SCHEMBL28601017 0.80 CES2 (0.54) CES2CES1GPR84PPARGPPARD
SCHEMBL28247472 0.80 CES2 (0.54) CES2CES1GPR84PPARGPPARD
SCHEMBL11105644 0.80 CES2 (0.54) CES2CES1GPR84PPARGPPARD

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-1858982-B1 SILICONE EMULSION, METHOD OF PREPARING SAME, AND COSMETIC INGREDIENT DOW CORNING (US) 2008-08-27 EP disclosed
EP-1858982-A1 SILICONE EMULSION, METHOD OF PREPARING SAME, AND COSMETIC INGREDIENT Dow Corning Corporation (US) 2007-11-28 EP disclosed
WO-2006102010-A1 SILICONE EMULSION, METHOD OF PREPARING SAME, AND COSMETIC INGREDIENT DOW CORNING CORPORATION (US) 2006-09-28 WO disclosed