SCHEMBL28412428

SCHEMBL28412428

C=C(CCCCCCCCCCCCCCCCCC)C(=O)OC#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.42
CES1 P23141 3/20 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
TSHR P16473 7/20 0.41
HDAC11 Q96DB2 5/20 0.41
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 3/20 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

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
SCHEMBL6021864 1.00 CES2 (0.42) CES2CES1GPR84PPARGPPARD
SCHEMBL4707240 0.98 TSHR (0.40) CES2CES1GPR84PPARGPPARD
SCHEMBL6249406 0.93 ALDH1A1 (0.41) CES2CES1GPR84PPARGPPARD
SCHEMBL28024847 0.89 TSHR (0.42) GPR84PPARGPPARDPPARATSHR
SCHEMBL28254932 0.85 ALDH1A1 (0.44) CES2CES1TSHRALDH1A1
SCHEMBL27504162 0.79 CES2 (0.50) CES2CES1GPR84PPARGPPARD
SCHEMBL28817979 0.79 CES2 (0.50) CES2CES1GPR84PPARGPPARD
SCHEMBL5510815 0.79 CES2 (0.50) CES2CES1GPR84PPARGPPARD
SCHEMBL25375939 0.77 CES2 (0.48) CES2CES1GPR84PPARGPPARD
SCHEMBL8905892 0.77 DGKA (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106470968-B Process for preparing 1,1-disubstituted ethylene monomers 艾费尼蒂卡科技有限公司 2020-05-12 CN disclosed