SCHEMBL2862738

SCHEMBL2862738

CCCC(C)[N+](C)(C)C(C)(C(=O)[O-])C(=O)O.CCCCCCCCCCCC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FAAH O00519 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.36
CA2 P00918 1/20 0.36
CES2 O00748 3/20 0.35
CES1 P23141 3/20 0.35
FFAR4 Q5NUL3 2/20 0.35
FFAR1 O14842 2/20 0.35
PPARG P37231 5/20 0.34
PPARD Q03181 5/20 0.34
PPARA Q07869 5/20 0.34
HDAC11 Q96DB2 4/20 0.34
TSHR P16473 3/20 0.34
GPR84 Q9NQS5 3/20 0.34

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
SCHEMBL3827255 0.86 CA2 (0.45) CA2FFAR4FFAR1PPARDGPR84
SCHEMBL7718260 0.86 CA2 (0.45) CA2FFAR4FFAR1PPARDGPR84
SCHEMBL278213 0.86 TSHR (0.36) CYP3A4CA2TSHRTDP1
Acrylamide SCHEMBL2879989 0.81 ALDH1A1 (0.31) TSHRALDH1A1
SCHEMBL8692682 0.71 CA2 (0.47) CA2FFAR1PPARDGPR84
Acetic Acid SCHEMBL6314424 0.70 CYP3A4 (0.33) CYP3A4TSHRTDP1
Hydrogen Sulfide SCHEMBL27546408 0.69 SOAT1 (0.71) SOAT1MEN1KMT2AFAAHTP53
Palmitamide SCHEMBL31226815 0.67 GRIK1 (0.57) SOAT1MEN1KMT2AFAAHTP53
Octadecanoic Acid Amide SCHEMBL27823564 0.67 SOAT1 (0.63) SOAT1MEN1KMT2AFAAHTP53
Octadecanoic Acid Amide SCHEMBL15533985 0.67 SOAT1 (0.63) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304575-B2 Process for production of ether carboxylates KAO CORPORATION (JP) 2012-11-06 US disclosed
US-20100081716-A1 PROCESS FOR PRODUCTION OF ETHER CARBOXYLATES KAO CORPORATION (JP) 2010-04-01 US disclosed
EP-2143706-A1 PROCESS FOR PRODUCTION OF ETHER CARBOXYLATES Kao Corporation (JP) 2010-01-13 EP disclosed
EP-0796264-B1 PROCESS FOR THE PREPARATION OF PHOSOPHORIC MONOESTER KAO CORP (JP) 2003-12-10 EP disclosed
EP-0796264-A1 PROCESS FOR THE PREPARATION OF PHOSOPHORIC MONOESTER Kao Corporation (JP) 1997-09-24 EP disclosed
WO-1996017852-A1 PROCESS FOR THE PREPARATION OF PHOSOPHORIC MONOESTER KAO CORPORATION (JP) 1996-06-13 WO disclosed