SCHEMBL29444579

SCHEMBL29444579

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(CC)(CC)CCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
EPHX1 P07099 1/20 0.43
TSHR P16473 4/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FAAH O00519 1/20 0.39
ACHE P22303 6/20 0.39
HTR2C P28335 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR3 Q9UBY5 1/20 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
SCHEMBL28971999 0.86 NAAA (0.42) NAAAEPHX1TSHRALDH1A1LMNA
SCHEMBL28340245 0.84 NAAA (0.52) NAAAEPHX1TSHRALDH1A1LMNA
SCHEMBL28340208 0.82 NAAA (0.50) NAAAEPHX1TSHRALDH1A1LMNA
SCHEMBL5665790 0.79 NAAA (0.48) NAAAEPHX1TSHRALDH1A1LMNA
SCHEMBL2671537 0.78 DGKA (0.53) NAAATSHRALDH1A1LMNARAD52
SCHEMBL1547526 0.78 NAAA (0.47) NAAAEPHX1TSHRALDH1A1LMNA
SCHEMBL28134686 0.77 NAAA (0.53) NAAAEPHX1TSHRALDH1A1LMNA
SCHEMBL6863717 0.77 NAAA (0.48) NAAAEPHX1TSHRALDH1A1LMNA
SCHEMBL28192912 0.76 NAAA (0.48) NAAAEPHX1TSHRALDH1A1LMNA
SCHEMBL918326 0.75 NAAA (0.44) NAAAEPHX1TSHRALDH1A1LMNA

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-108096061-B Cosmetic composition 株式会社芳珂 2022-04-08 CN disclosed