SCHEMBL9822754

SCHEMBL9822754

C/C=C/C(=O)C(=O)CCCCCCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.60
CES1 P23141 4/20 0.60
FAAH O00519 2/20 0.47
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 6/20 0.46
PPARD Q03181 6/20 0.46
PPARA Q07869 6/20 0.46
HDAC11 Q96DB2 5/20 0.46
TSHR P16473 4/20 0.46
ALDH1A1 P00352 2/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
PTPN1 P18031 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

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
SCHEMBL3208067 0.82 CES1 (0.52) CES2CES1TSHRALDH1A1
Podoscyphic Acid SCHEMBL2437877 0.82 CES2 (0.58) CES2CES1GPR84PPARGPPARD
SCHEMBL2437216 0.82 CES2 (0.58) CES2CES1GPR84PPARGPPARD
SCHEMBL547458 0.82 CES2 (0.58) CES2CES1GPR84PPARGPPARD
SCHEMBL547457 0.82 CES2 (0.58) CES2CES1GPR84PPARGPPARD
SCHEMBL26463501 0.82 CES1 (0.58) CES2CES1FAAHGPR84PPARG
SCHEMBL28053256 0.80 FAAH (0.62) FAAHPPARGPPARAFABP4ALOX15
SCHEMBL7952574 0.79 CES2 (0.54) CES2CES1GPR84PPARGPPARD
SCHEMBL1482106 0.78 TRPA1 (0.61) CES2CES1GPR84PPARGPPARD
SCHEMBL11796280 0.78 TRPA1 (0.61) 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
EP-0217804-B1 ANALOGS OF SUBSTANCES P ENICHEM S.p.A. (IT) 1991-10-02 EP claimed