SCHEMBL28664741

SCHEMBL28664741

CC(C)(C)CCc1ccc(O)c(CCC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.49
ALOX5 P09917 2/20 0.44
AKR1B1 P15121 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ALOX15 P16050 4/20 0.41
IGF1R P08069 2/20 0.41
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
EGFR P00533 1/20 0.39
LCK P06239 1/20 0.39
MAPK1 P28482 3/20 0.39
TP53 P04637 2/20 0.39
THPO P40225 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL13274042 0.89 BACE1 (0.64) BACE1ALOX5GABRA1GABRB2CNR1
SCHEMBL25995153 0.85 IGF1R (0.47) BACE1ALOX5AKR1B1GABRA1GABRB2
SCHEMBL2600044 0.84 ALOX15 (0.59) BACE1ALOX5ALOX15IGF1RMAPT
SCHEMBL25995189 0.84 IGF1R (0.50) BACE1ALOX5AKR1B1GABRA1GABRB2
SCHEMBL14283761 0.82 TYR (0.45) ALOX5ALOX15MAPTALDH1A1EGFR
SCHEMBL25995219 0.82 IGF1R (0.48) BACE1ALOX5AKR1B1ALOX15IGF1R
SCHEMBL25995242 0.82 IGF1R (0.48) BACE1ALOX5AKR1B1ALOX15IGF1R
SCHEMBL25995232 0.82 IGF1R (0.48) BACE1ALOX5AKR1B1ALOX15IGF1R
SCHEMBL25995244 0.82 IGF1R (0.48) BACE1ALOX5AKR1B1ALOX15IGF1R
SCHEMBL25995258 0.82 IGF1R (0.48) BACE1ALOX5AKR1B1ALOX15IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113698278-B Method for extracting 3, 5-xylenol from 3, 5-xylenol/m-p-ethylphenol 盐城工学院 2022-08-23 CN disclosed
CN-113698278-A Method for extracting 3, 5-xylenol from 3, 5-xylenol/m-p-ethylphenol 盐城工学院 2021-11-26 CN disclosed