SCHEMBL9511920

SCHEMBL9511920

CCCCCCCCCCCCC(CCCCCCC(N)=O)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.59
CA1 P00915 1/20 0.59
SOAT1 P35610 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
FAAH O00519 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
KDM4E B2RXH2 2/20 0.50
GRIK1 P39086 2/20 0.49
GRIK2 Q13002 2/20 0.49
FFAR4 Q5NUL3 2/20 0.48
FFAR1 O14842 2/20 0.48
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
PPARG P37231 4/20 0.45

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
SCHEMBL29231581 1.00 CA2 (0.59) CA2CA1SOAT1MEN1KMT2A
SCHEMBL28713162 1.00 CA2 (0.59) CA2CA1SOAT1MEN1KMT2A
SCHEMBL29231800 1.00 CA2 (0.59) CA2CA1SOAT1MEN1KMT2A
SCHEMBL27816804 1.00 CA2 (0.59) CA2CA1SOAT1MEN1KMT2A
SCHEMBL27910058 1.00 CA2 (0.59) CA2CA1SOAT1MEN1KMT2A
SCHEMBL25380121 1.00 CA2 (0.59) CA2CA1SOAT1MEN1KMT2A
SCHEMBL29231940 1.00 CA2 (0.59) CA2CA1SOAT1MEN1KMT2A
SCHEMBL29060074 1.00 CA2 (0.59) CA2CA1SOAT1MEN1KMT2A
Palmitamide SCHEMBL16398674 0.96 CA2 (0.55) CA2CA1SOAT1MEN1KMT2A
SCHEMBL10760852 0.96 CA2 (0.59) CA2CA1SOAT1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0258923-B1 FABRIC SOFTENING COMPOSITION AND DETERGENT-COMPOSITION COMPRISING THE SAME Akzo Nobel N.V. (NL) 1993-10-06 EP disclosed
US-4851138-A QUATERNARY AMMONIUM, CLAY AND AMIDE, IMIDE OR UREA AKZO, N.V. (NL) 1989-07-25 US disclosed
EP-0258923-A2 Fabric softening composition and detergent-composition comprising the same Akzo Nobel N.V. (NL) 1988-03-09 EP disclosed