Octadecanoic Acid Amide

Octadecanoic Acid Amide

SCHEMBL8852034

CCCCCCCCCCCCCCCCCC(N)=O.NCCN.NCCN

nearest known ligand 0.65

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Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

The experimentally established mechanism targets of Octadecanoic Acid Amide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A known ✓ P27815 1/20 0.54
PDE3A known ✓ Q14432 1/20 0.54
SOAT1 P35610 2/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
FAAH O00519 1/20 0.65
TP53 P04637 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C19 P33261 1/20 0.65
KDM4E B2RXH2 2/20 0.59
CES2 O00748 3/20 0.56
CES1 P23141 3/20 0.56
GPR84 Q9NQS5 7/20 0.54
PPARG P37231 6/20 0.54
PPARD Q03181 6/20 0.54
PPARA Q07869 6/20 0.54
HDAC11 Q96DB2 5/20 0.54
TSHR P16473 4/20 0.54
ALDH1A1 P00352 2/20 0.54

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
Ethylenediamine SCHEMBL141739 1.00 SOAT1 (0.65) SOAT1MEN1KMT2AFAAHTP53
Octadecanoic Acid Amide SCHEMBL179846 1.00 SOAT1 (0.65) SOAT1MEN1KMT2AFAAHTP53
Ethylenediamine SCHEMBL2096846 1.00 SOAT1 (0.65) SOAT1MEN1KMT2AFAAHTP53
Palmitamide SCHEMBL22462332 1.00 SOAT1 (0.65) SOAT1MEN1KMT2AFAAHTP53
Octadecanoic Acid Amide SCHEMBL5462536 1.00 SOAT1 (0.65) SOAT1MEN1KMT2AFAAHTP53
Octadecanoic Acid Amide SCHEMBL27961273 0.95 SOAT1 (0.61) SOAT1MEN1KMT2AFAAHTP53
Palmitamide SCHEMBL28284148 0.95 SOAT1 (0.65) SOAT1MEN1KMT2AFAAHTP53
Octadecanoic Acid Amide SCHEMBL21218811 0.95 SOAT1 (0.65) SOAT1MEN1KMT2AFAAHTP53
Propylamine SCHEMBL27953558 0.95 SOAT1 (0.65) SOAT1MEN1KMT2AFAAHTP53
Octadecanoic Acid Amide SCHEMBL28709026 0.93 MEN1 (0.59) SOAT1MEN1KMT2AFAAHTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0603147-B1 Antistatic thermoplastic polymers BAYER ANTWERPEN NV (BE) 1997-04-16 EP disclosed
US-5346959-A THERMOPLASTIC COMPOSITION OF ACRYLONITRILE-BUTADIENE-STYRENE TERPOLYMER/STYRENE-MALEIC ANHYDRIDE COPOLYMER BLEND AND AN ANTISTATIC AGENT OF AN ETHYLENE OXIDE POLYMER AND AN ALKALI METAL SALT MONSANTO COMPANY (US) 1994-09-13 US disclosed
US-5334635-A Antistatic thermoplastic polymers MONSANTO COMPANY (US) 1994-08-02 US disclosed
EP-0603147-A1 Antistatic thermoplastic polymers MONSANTO COMPANY (US) 1994-06-22 EP disclosed