SCHEMBL29259807

SCHEMBL29259807

CCCCCCCC(OOOOC(C)(C)C)(OOC(C)(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
GPR84 Q9NQS5 7/20 0.33
PPARG P37231 6/20 0.33
PPARD Q03181 6/20 0.33
PPARA Q07869 6/20 0.33
HDAC11 Q96DB2 5/20 0.33
TSHR P16473 4/20 0.33
ALDH1A1 P00352 2/20 0.33
TLR2 O60603 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FABP4 P15090 2/20 0.33
PTPN1 P18031 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
MEN1 O00255 1/20 0.33
ESR1 P03372 1/20 0.33
ALOX15 P16050 1/20 0.33
PDE4A P27815 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL1932688 0.80 TSHR (0.36) TSHRALDH1A1TDP1HSD17B10
SCHEMBL9160891 0.78 TSHR (0.43) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL6698870 0.77
SCHEMBL28960879 0.76 CES2 (0.39) CES2GPR84PPARGPPARDPPARA
SCHEMBL29958704 0.75 CES2 (0.33) CES2GPR84PPARGPPARDPPARA
SCHEMBL8572596 0.75 CES2 (0.38) CES2GPR84PPARGPPARDPPARA
SCHEMBL5147659 0.74 TSHR (0.41) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL30441966 0.73 CES2 (0.42) CES2GPR84PPARGPPARDPPARA
SCHEMBL29563460 0.73 CES2 (0.42) CES2GPR84PPARGPPARDPPARA
SCHEMBL2028994 0.70 TSHR (0.38) TSHRALDH1A1TDP1MEN1KMT2A

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-118259564-A Toner and method for producing toner 佳能株式会社 2024-06-28 CN disclosed