SCHEMBL21645935

SCHEMBL21645935

CCCCCC(O)C(O)CCCC/C=C(O)/C=C/C=C/C=C/C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
PTPN1 P18031 1/20 0.42
FPR2 P25090 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
EP300 Q09472 1/20 0.40
PPARG P37231 2/20 0.39
GPR132 Q9UNW8 1/20 0.39
OXER1 Q8TDS5 2/20 0.38
GPR84 Q9NQS5 2/20 0.38

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
SCHEMBL21645848 0.90 ACHE (0.48) ACHEBACE1PTPN1EP300PPARG
SCHEMBL31203472 0.90 ACHE (0.48) ACHEBACE1PTPN1EP300PPARG
SCHEMBL29706604 0.90 ACHE (0.48) ACHEBACE1PTPN1EP300PPARG
SCHEMBL25331233 0.88 ACHE (0.49) ACHEBACE1PTPN1EP300PPARG
SCHEMBL2258346 0.88 ACHE (0.49) ACHEBACE1PTPN1EP300PPARG
SCHEMBL15048681 0.88 PTPN1 (0.53) ACHEBACE1PTPN1EP300PPARG
SCHEMBL15048680 0.88 PTPN1 (0.53) ACHEBACE1PTPN1EP300PPARG
SCHEMBL498876 0.88 PTPN1 (0.53) ACHEBACE1PTPN1EP300PPARG
SCHEMBL498875 0.88 PTPN1 (0.53) ACHEBACE1PTPN1EP300PPARG
SCHEMBL28961749 0.88 PTPN1 (0.53) ACHEBACE1PTPN1EP300PPARG

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
WO-2020027620-A1 COMPOSITION AND METHOD FOR PREPARATION OF DIHYDROXY FATTY ACID OR LIPID MEDIATOR BY USING COMBINED LIPOXYGENASE REACTIONS 건국대학교 산학협력단 2020-02-06 WO disclosed