SCHEMBL31336283

SCHEMBL31336283

CCC=CCCCCC=Cc1cccc(OCCCC)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.58
TLR2 O60603 2/20 0.58
AHR P35869 1/20 0.43
PPARA Q07869 2/20 0.43
TSHR P16473 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRNA7 P36544 1/20 0.41
LTA4H P09960 1/20 0.41
PLA2G4B P0C869 1/20 0.40
LCK P06239 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL23779767 1.00 TLR4 (0.58) TLR4TLR2AHRPPARATSHR
SCHEMBL23779779 0.93 TLR4 (0.59) TLR4TLR2AHRPPARATSHR
SCHEMBL23779777 0.93 TLR4 (0.59) TLR4TLR2AHRPPARATSHR
SCHEMBL29440732 0.89 TLR4 (0.60) TLR4TLR2AHRTSHRCYSLTR2
SCHEMBL22122567 0.89 TLR4 (0.60) TLR4TLR2AHRTSHRCYSLTR2
SCHEMBL31538247 0.89 TLR4 (0.60) TLR4TLR2AHRTSHRCYSLTR2
SCHEMBL23779797 0.84 TLR4 (0.56) TLR4TLR2AHRTSHRCYSLTR2
SCHEMBL23779806 0.82 TLR4 (0.56) TLR4TLR2AHRPPARATSHR
SCHEMBL23779805 0.82 TLR4 (0.56) TLR4TLR2AHRPPARATSHR
SCHEMBL73717 0.82 TLR4 (0.55) TLR4TLR2TSHRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720023-A1 FRAGRANCE PRECURSOR COMPOUNDS Givaudan SA (CH) 2026-04-08 EP claimed
WO-2024245610-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN SA (CH) 2024-12-05 WO claimed
EP-4720023-A1 FRAGRANCE PRECURSOR COMPOUNDS Givaudan SA (CH) 2026-04-08 EP disclosed
WO-2024245610-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN SA (CH) 2024-12-05 WO disclosed