Guaiacol

Guaiacol

SCHEMBL5320116

CCCCCCCCOc1ccccc1O.COc1ccccc1O.c1cnnnc1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
JAK2 O60674 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
NR1I2 O75469 1/20 0.45
CHRM2 P08172 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRA2A P08913 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 2/20 0.43
CNR1 P21554 2/20 0.42

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 SCHEMBL5483774 1.00 CA1 (0.49) CA1CA2TP53TSHRLMNA
Guaiacol SCHEMBL5320834 0.91 CNR1 (0.43) CA1CA2TP53TSHRLMNA
Anisole SCHEMBL27666736 0.91 MAPT (0.43) LMNAMAPTJAK2GAAMEN1
Guaiacol SCHEMBL28139981 0.88 NR5A1 (0.49) CA1CA2TP53TSHRLMNA
SCHEMBL27966447 0.86 LMNA (0.43) CA1CA2TP53TSHRLMNA
Guaiacol SCHEMBL3387344 0.86 ALOX5 (0.42) CA1CA2TP53TSHRLMNA
Guaiacol SCHEMBL480341 0.86 ALOX5 (0.42) CA1CA2TP53TSHRLMNA
SCHEMBL27957631 0.85 CNR1 (0.42) LMNAMAPTMEN1NR1I2CHRM2
Guaiacol SCHEMBL28053487 0.85 CA1 (0.42) CA1CA2TP53TSHRLMNA
SCHEMBL270163 0.84 LMNA (0.64) CA1CA2TP53TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007093295-A2 OIL-IN-WATER FORMULATION FOR ARTHROPOD AND PLATHELMINTH CONTROL SALTIGO GMBH (DE) 2007-08-23 WO claimed
WO-2007093298-A1 GEL FORMULATIONS FOR ARTHROPOD AND PLATHELMINTH CONTROL SALTIGO GMBH (DE) 2007-08-23 WO claimed
WO-2002043491-A9 EXTENDED DURATION INSECT REPELLENT COMPOSITION AND METHOD OF APPLICATION TO THE SKIN AVON PROD INC (US) 2003-08-14 WO claimed
EP-1250043-A4 EXTENDED DURATION INSECT REPELLENT COMPOSITION AND METHOD OF APPLICATION TO THE SKIN AVON PROD INC (US) 2003-04-02 EP claimed
EP-1250043-A1 EXTENDED DURATION INSECT REPELLENT COMPOSITION AND METHOD OF APPLICATION TO THE SKIN AVON PRODUCTS, INC. (US) 2002-10-23 EP claimed
WO-2002043491-A1 EXTENDED DURATION INSECT REPELLENT COMPOSITION AND METHOD OF APPLICATION TO THE SKIN AVON PRODUCTS, INC. (US) 2002-06-06 WO claimed