SCHEMBL28645586

SCHEMBL28645586

C=C(C(=O)CCCCCCCCCCCCCCC)C(=O)OCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.60
CES2 O00748 4/20 0.54
CES1 P23141 4/20 0.54
TSHR P16473 6/20 0.46
DGKA P23743 1/20 0.46
PPARG P37231 4/20 0.42
PPARD Q03181 4/20 0.42
PPARA Q07869 4/20 0.42
GPR84 Q9NQS5 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
TLR2 O60603 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42
FABP4 P15090 1/20 0.42
ALOX15 P16050 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL8995706 1.00 FAAH (0.60) FAAHCES2CES1TSHRDGKA
SCHEMBL5402586 1.00 FAAH (0.60) FAAHCES2CES1TSHRDGKA
SCHEMBL29187198 1.00 FAAH (0.60) FAAHCES2CES1TSHRDGKA
SCHEMBL23764692 0.87 TSHR (0.62) FAAHCES2CES1TSHRDGKA
SCHEMBL22357283 0.86 TSHR (0.47) FAAHCES2CES1TSHRDGKA
SCHEMBL7751187 0.84 FAAH (0.79) FAAHCES2CES1TSHRDGKA
SCHEMBL7752209 0.84 FAAH (0.79) FAAHCES2CES1TSHRDGKA
SCHEMBL7640125 0.84 FAAH (0.79) FAAHCES2CES1TSHRDGKA
SCHEMBL1088961 0.84 FAAH (0.79) FAAHCES2CES1TSHRDGKA
SCHEMBL1480610 0.84 FAAH (0.79) FAAHCES2CES1TSHRDGKA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118125936-A N-acyl ethanolamide derivative, preparation method and application thereof 南京清普生物科技有限公司 2024-06-04 CN disclosed
CN-113412323-A Water-repellent composition 大金工业株式会社 2021-09-17 CN disclosed