SCHEMBL24715481

SCHEMBL24715481

COc1cc(C)cc(-c2cccc(C)c2O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.44
ELANE P08246 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXRA P19793 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
ACHE P22303 2/20 0.38
TRPA1 O75762 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
SCHEMBL24740979 0.90 MAPT (0.52) ERN1ELANEALDH1A1MAPTKDM4E
SCHEMBL16024748 0.84 ERN1 (0.50) ERN1ALDH1A1MAPTKDM4ELMNA
SCHEMBL7520392 0.84 ERN1 (0.57) ERN1ALDH1A1MAPTKDM4ELMNA
SCHEMBL17126985 0.82 ALDH1A1 (0.52) ELANEALDH1A1MAPTKDM4ELMNA
SCHEMBL18550567 0.81 MAPT (0.47) ERN1ELANEALDH1A1MAPTKDM4E
SCHEMBL16024745 0.79 ERN1 (0.46) ERN1ALDH1A1MAPTKDM4ELMNA
SCHEMBL890499 0.77 ACHE (0.55) ERN1ALDH1A1MAPTKDM4ELMNA
SCHEMBL18523530 0.77 ACHE (0.50) ERN1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL17265426 0.77 ERN1 (0.44) ERN1ALDH1A1MAPTKDM4ELMNA
SCHEMBL16015052 0.77 ESR2 (0.47) ERN1TNKS2ACHEPOLB

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-4056267-A1 METHOD AND CATALYST FOR THE PRODUCTION OF PHENOLIC COMPONENTS FROM LIGNINE Heraeus Deutschland GmbH & Co. KG (DE) 2022-09-14 EP disclosed