SCHEMBL6236596

SCHEMBL6236596

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.43
ICMT O60725 1/20 0.42
GMNN O75496 1/20 0.42
TRPA1 O75762 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
CDK2 P24941 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
FNTA P49354 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
SCHEMBL28176751 0.79 CES1 (0.42) LMNACYP1A2CYP3A4MAPTTSHR
SCHEMBL3125298 0.79 MAPT (0.53) TRPV1ICMTGMNNTRPA1LMNA
SCHEMBL2770071 0.79 TRPV1 (0.40) TRPV1ICMTGMNNTRPA1LMNA
SCHEMBL2770069 0.79 TRPV1 (0.40) TRPV1ICMTGMNNTRPA1LMNA
SCHEMBL11483327 0.75 CES2 (0.57) LMNAPOLBMAPTTDP1CES2
SCHEMBL8158420 0.74 CES1 (0.50) LMNACYP1A2CYP3A4MAPTTSHR
SCHEMBL9818141 0.74 CES1 (0.50) LMNACYP1A2CYP3A4MAPTTSHR
Geraniol SCHEMBL28645505 0.74 CYP3A4 (0.59) TRPV1ICMTGMNNTRPA1LMNA
Benzoyl Formic Acid SCHEMBL28123049 0.74 TRPV1 (0.47) TRPV1ICMTGMNNTRPA1LMNA
Farnesol SCHEMBL3040180 0.73 MAPT (0.61) TRPV1ICMTGMNNTRPA1LMNA

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
WO-2005012210-A2 ANTIMICROBIAL ACTIVE PREPARATIONS CONTAINING TERPENE DERIVATIVES DR. ANDRE RIEKS - LABOR FÜR ENZYMTECHNOLOGIE GMBH (DE) 2005-02-10 WO disclosed