SCHEMBL31362637

SCHEMBL31362637

CC(C)=CCC/C(C)=C/C(=O)OC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.50
TRPV1 Q8NER1 4/20 0.49
POLB P06746 2/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
ICMT O60725 1/20 0.43
GMNN O75496 1/20 0.43
TRPA1 O75762 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
CDK2 P24941 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43

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
Farnesol SCHEMBL9270279 0.82 MAPT (0.56) TRPV1POLBFNTAFNTBICMT
SCHEMBL9280535 0.82 LMNA (0.47) KDM4ELMNACYP1A2MAPTTSHR
SCHEMBL26500833 0.81 KDM4E (0.54) KDM4EATMTRPV1POLBICMT
SCHEMBL15228370 0.81 TRPV1 (0.51) KDM4EATMTRPV1POLBFNTA
SCHEMBL15228373 0.81 TRPV1 (0.51) KDM4EATMTRPV1POLBFNTA
SCHEMBL9271248 0.80 ALDH1A1 (0.55) TRPV1POLBFNTAFNTBICMT
SCHEMBL21528248 0.79 TRPV1 (0.51) KDM4EATMTRPV1POLBFNTA
SCHEMBL21528247 0.79 TRPV1 (0.51) KDM4EATMTRPV1POLBFNTA
SCHEMBL9274111 0.79 ALDH1A1 (0.64) TRPV1FNTAFNTB
SCHEMBL584937 0.78 TRPV1 (0.77) TRPV1

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
US-20250089760-A1 Vaporizable Material for Use in an Aerosol Generating Device JT INTERNATIONAL S.A. (CH) 2025-03-20 US disclosed