SCHEMBL31336307

SCHEMBL31336307

CCC#CCCCCC=Cc1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
CYP3A4 P08684 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TRPA1 O75762 1/20 0.41
RELA Q04206 1/20 0.41
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CYP1A2 P05177 3/20 0.40
CYP1A1 P04798 3/20 0.40
CYP1B1 Q16678 3/20 0.40
ESR1 P03372 2/20 0.40
AHR P35869 2/20 0.40
PTGS2 P35354 2/20 0.40
ABL1 P00519 1/20 0.40

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
SCHEMBL31336316 1.00 KDM4E (0.42) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL31336557 1.00 KDM4E (0.42) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL8079932 0.82 KDM4E (0.44) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL8079926 0.82 KDM4E (0.44) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL6434844 0.81 AHR (0.53) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL6435102 0.81 AHR (0.53) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL6434839 0.81 AHR (0.53) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL15688436 0.80 CNR1 (0.54) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL17682006 0.80 CNR1 (0.54) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL2005561 0.80 CNR1 (0.54) KDM4ECYP3A4LMNATP53TSHR

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