SCHEMBL2356520

SCHEMBL2356520

CCCCCCC(C)=O.[AlH3]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.62
CES1 P23141 4/20 0.62
GPR84 Q9NQS5 7/20 0.59
PPARG P37231 7/20 0.59
PPARD Q03181 7/20 0.59
PPARA Q07869 7/20 0.59
HDAC11 Q96DB2 5/20 0.59
TSHR P16473 5/20 0.59
PTPN1 P18031 3/20 0.59
ALDH1A1 P00352 3/20 0.59
TLR2 O60603 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
FABP4 P15090 2/20 0.59
SLC22A6 Q4U2R8 1/20 0.59
SLC22A8 Q8TCC7 1/20 0.59
MEN1 O00255 1/20 0.59
ESR1 P03372 1/20 0.59
ALOX15 P16050 1/20 0.59
PDE4A P27815 1/20 0.59
KMT2A Q03164 1/20 0.59

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
2-Nonanone SCHEMBL7150995 1.00 CES2 (0.62) CES2CES1GPR84PPARGPPARD
SCHEMBL966763 0.97 CES2 (0.65) CES2CES1GPR84PPARGPPARD
SCHEMBL11554565 0.97 CES2 (0.65) CES2CES1GPR84PPARGPPARD
2-Nonanone SCHEMBL5568806 0.97 CES2 (0.65) CES2CES1GPR84PPARGPPARD
2-Dodecanone SCHEMBL23501396 0.97 CES2 (0.65) CES2CES1GPR84PPARGPPARD
SCHEMBL24005728 0.97 CES2 (0.65) CES2CES1GPR84PPARGPPARD
SCHEMBL536829 0.97 CES2 (0.65) CES2CES1GPR84PPARGPPARD
2-Tridecanone SCHEMBL7749351 0.97 CES2 (0.65) CES2CES1GPR84PPARGPPARD
SCHEMBL21044722 0.97 CES2 (0.65) CES2CES1GPR84PPARGPPARD
2-Decanone SCHEMBL14837717 0.97 CES2 (0.65) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106009935-A Waterborne dispersing agent and preparation method and application thereof 袁立新 2016-10-12 CN disclosed
CN-103917603-B The method forming the gel of the heat stability with improvement 道康宁公司 2016-08-24 CN disclosed
US-20110196068-A1 RESIN COMPOSITION FOR OPTICAL LENS AND OPTICAL PACKAGING NAN YA PLASTICS CORPORATION (TW) 2011-08-11 US disclosed
CN-1398935-A Normal temperature hardened paint composition ZHANG ZUYI (CN) 2003-02-26 CN disclosed