SCHEMBL218768

SCHEMBL218768

CCCCCCCCCCCC(=CI)OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.45
CES1 P23141 4/20 0.45
GPR84 Q9NQS5 7/20 0.43
PPARG P37231 7/20 0.43
PPARD Q03181 7/20 0.43
PPARA Q07869 7/20 0.43
HDAC11 Q96DB2 5/20 0.43
TSHR P16473 5/20 0.43
PTPN1 P18031 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 1/20 0.43
ALOX15 P16050 1/20 0.43
PDE4A P27815 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL28515768 0.84 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL28629832 0.83 CES2 (0.43) CES2CES1GPR84PPARGPPARD
SCHEMBL808517 0.81 FAAH (0.42) CES2CES1GPR84PPARGPPARD
SCHEMBL6537010 0.81 EP300 (0.47) PPARGPPARDPPARAPTPN1TDP1
SCHEMBL11600340 0.81 GPR84 (0.45) CES2CES1GPR84PPARGPPARD
SCHEMBL11600336 0.81 GPR84 (0.45) CES2CES1GPR84PPARGPPARD
SCHEMBL28682791 0.81 EP300 (0.47) PPARGPPARDPPARAPTPN1TDP1
SCHEMBL28714897 0.81 CES2 (0.41) CES2CES1GPR84PPARGPPARD
SCHEMBL29114402 0.79 TSHR (0.43) CES2CES1GPR84PPARGPPARD
SCHEMBL6692822 0.78 EP300 (0.47) PPARGPPARDPPARAPTPN1TDP1

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
US-8088367-B2 Gall midge pheromone mixture PHERONET AB (SE) 2012-01-03 US disclosed