Guaiacol

Guaiacol

SCHEMBL3387344

CCCCCCOc1c(O)cccc1CC.CCCCCCOc1c(O)cccc1CC.COc1ccccc1O.c1cnnnc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PPARA Q07869 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38

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
Guaiacol SCHEMBL480341 1.00 ALOX5 (0.42) ALOX5PTGS2CNR1CNR2PPARA
Guaiacol SCHEMBL3959515 0.92 ALOX5 (0.49) ALOX5PTGS2CNR1CNR2PPARA
SCHEMBL29286378 0.91 BID (0.42) PPARAMEN1MAPTKMT2A
Guaiacol SCHEMBL5320834 0.90 CNR1 (0.43) ALOX5PTGS2CNR1CNR2CA1
Anisole SCHEMBL27966148 0.89 MAPT (0.39) PPARAMAPT
Guaiacol SCHEMBL268884 0.88 CNR1 (0.40) ALOX5CNR1CNR2CA1CA2
Guaiacol SCHEMBL5483774 0.86 CA1 (0.49) ALOX5PTGS2CNR1CNR2CA1
Guaiacol SCHEMBL5320116 0.86 CA1 (0.49) ALOX5PTGS2CNR1CNR2CA1
SCHEMBL790778 0.85 ELANE (0.38) ALOX5PTGS2CNR1CNR2PPARA
SCHEMBL15162949 0.85 ELANE (0.38) ALOX5PTGS2CNR1CNR2PPARA

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
EP-1728816-B1 Method of activating the shrink characteristic of a film CRYOVAC INC (US) 2010-12-22 EP claimed