SCHEMBL30749465

SCHEMBL30749465

C=CCC(C)(C(=O)O)C1CCCCC1.CCC(=O)OCC=CC1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
CASP1 P29466 1/20 0.30

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
SCHEMBL1646209 0.80 CACNA1B (0.38) CACNA1BALDH1A1GAA
SCHEMBL432459 0.79 CCR2 (0.37) ALDH1A1
SCHEMBL29411220 0.76 CASP1 (0.52) ALDH1A1GAACASP1
SCHEMBL31065023 0.72 CASP1 (0.36) ALDH1A1GAACASP1
SCHEMBL28743600 0.70 ALDH1A1 (0.38) CACNA1BALDH1A1GAA
SCHEMBL28743602 0.68 NAAA (0.45) ALDH1A1GAA
SCHEMBL29018522 0.67 CACNA1B (0.40) CACNA1B
SCHEMBL28743298 0.67 NAAA (0.51) ALDH1A1GAA
SCHEMBL16859601 0.66 LTA4H (0.35) CASP1
SCHEMBL28785379 0.66 EPHX1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396591-A Fragrance and evaluation method for improving happy state 奇华顿股份有限公司 2024-01-12 CN claimed
CN-117396591-A Fragrance and evaluation method for improving happy state 奇华顿股份有限公司 2024-01-12 CN disclosed