SCHEMBL9633678

SCHEMBL9633678

CCCC(C(=O)O)N(C)C.CCCCCCCCCCCC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
FAAH O00519 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 2/20 0.44
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
PTPN1 P18031 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 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
Octadecanoic Acid Amide SCHEMBL29771468 1.00 SOAT1 (0.47) SOAT1MEN1KMT2AFAAHTP53
Octadecanoic Acid Amide SCHEMBL5575038 1.00 SOAT1 (0.47) SOAT1MEN1KMT2AFAAHTP53
Oleamide SCHEMBL28778032 0.91 FAAH (0.64) SOAT1MEN1KMT2AFAAHTP53
Tetradecanamide SCHEMBL2065731 0.87 TP53 (0.37) SOAT1MEN1KMT2AFAAHTP53
Octadecanoic Acid Amide SCHEMBL2065217 0.87 TP53 (0.37) SOAT1MEN1KMT2AFAAHTP53
Palmitamide SCHEMBL2065209 0.87 TP53 (0.37) SOAT1MEN1KMT2AFAAHTP53
SCHEMBL9789549 0.83 GRIK1 (0.42) MEN1KMT2AGRIK1GRIK2GPR84
SCHEMBL5530871 0.82 GPR84 (0.55) GRIK1GRIK2GPR84PPARDFFAR1
SCHEMBL351779 0.82 GPR84 (0.55) GRIK1GRIK2GPR84PPARDFFAR1
SCHEMBL3116423 0.82 GPR84 (0.55) GRIK1GRIK2GPR84PPARDFFAR1

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-0233842-B1 AMPHOTERIC SURFACTANT SOLUTIONS FOR CLEANING AND STORAGE OF SOFT CONTACT LENSES CIBA-GEIGY AG (CH) 1992-05-27 EP claimed