SCHEMBL29040267

SCHEMBL29040267

O=C(CO)OCCCCCCCCO

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
ACHE P22303 6/20 0.46
GAA P10253 1/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
FAAH O00519 1/20 0.38
HTR2C P28335 1/20 0.37
DGKA P23743 1/20 0.37
APP P05067 2/20 0.37
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35

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
SCHEMBL27942783 1.00 NAAA (0.46) NAAAACHEGAARAD52NPSR1
SCHEMBL29090831 0.98 NAAA (0.45) NAAAACHEGAARAD52NPSR1
SCHEMBL5696754 0.92 NAAA (0.52) NAAAACHERAD52NPSR1ALDH1A1
SCHEMBL31092629 0.92 NAAA (0.52) NAAAACHERAD52NPSR1ALDH1A1
SCHEMBL423033 0.92 NAAA (0.52) NAAAACHERAD52NPSR1ALDH1A1
SCHEMBL14405674 0.91 DGKA (0.50) NAAAACHEGAAGPR84FFAR1
SCHEMBL7755273 0.90 NAAA (0.50) NAAAACHERAD52NPSR1ALDH1A1
SCHEMBL821525 0.90
SCHEMBL11651701 0.89 NAAA (0.48) NAAARAD52NPSR1ALDH1A1CYP3A4
SCHEMBL741560 0.85 ACHE (0.50) NAAAACHEGAARAD52NPSR1

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
CN-116490598-A Detergent compositions with enhanced efficacy delivery of substances 株式会社LG生活健康 2023-07-25 CN disclosed