SCHEMBL6729119

SCHEMBL6729119

C=CCc1ccc(Oc2cc(C(C)C)ccc2C)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
PPARA Q07869 2/20 0.58
PPARG P37231 1/20 0.58
PPARD Q03181 1/20 0.58
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 2/20 0.51
PTGS1 P23219 2/20 0.49
CYP3A4 P08684 2/20 0.48
TRPM8 Q7Z2W7 2/20 0.48
ALOX5 P09917 2/20 0.48
AR P10275 1/20 0.48
ACHE P22303 2/20 0.47
BCHE P06276 1/20 0.47

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
SCHEMBL9615212 0.84 ALDH1A1 (0.65) ALDH1A1PPARAPPARGPPARDMEN1
SCHEMBL30114973 0.82 BCHE (0.56) ALDH1A1PPARAPPARGPPARDMEN1
SCHEMBL25685555 0.82 BCHE (0.56) ALDH1A1PPARAPPARGPPARDMEN1
SCHEMBL1870530 0.82 ALDH1A1 (0.86) ALDH1A1PPARAPPARGPPARDMEN1
Methyleugenol SCHEMBL6464321 0.82 ALDH1A1 (0.69) ALDH1A1PPARAPPARGPPARDMEN1
SCHEMBL8333482 0.80 ALDH1A1 (0.55) ALDH1A1PPARAPPARGPPARDMEN1
SCHEMBL2568265 0.79 ALDH1A1 (0.73) ALDH1A1PPARAPPARGPPARDMEN1
Eugenol SCHEMBL6729117 0.79 TRPM8 (0.68) ALDH1A1PPARAPPARGPPARDMEN1
SCHEMBL4399507 0.78 ALDH1A1 (0.58) ALDH1A1PPARAPPARGPPARDMEN1
Carvacrol SCHEMBL25285068 0.76 PPARA (0.53) ALDH1A1PPARAPPARGPPARDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024040323-A1 ACARICIDAL AND REPELLENT NANOEMULSION UNIVERSIDADE ESTADUAL DE CAMPINAS (BR) 2024-02-29 WO disclosed
WO-2018039758-A1 ANTIOXIDIZING MICROPARTICLE AND USES THEREOF UNIVERSIDADE ESTADUAL DE CAMPINAS - UNICAMP (BR) 2018-03-08 WO disclosed
US-20040248764-A1 Treatment and prevention of infections in plants EDEN RESEARCH PLC (C/O OXFORD CORPORATE SERVICES LTD.) (GB) 2004-12-09 US disclosed