SCHEMBL20822166

SCHEMBL20822166

COCC1(C)CCc2c(C)cc(C)c(C)c2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.36
ALOX5 P09917 4/20 0.35
MAPT P10636 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 2/20 0.33
USP2 O75604 2/20 0.33
CYP2C9 P11712 2/20 0.33
GSTP1 P09211 1/20 0.33
TTPA P49638 1/20 0.33
THRB P10828 1/20 0.33
CYP2C19 P33261 1/20 0.33
NR1I2 O75469 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32

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
SCHEMBL656620 0.85
SCHEMBL16282031 0.83 ALOX5 (0.37) AKT1ALOX5MAPTMEN1KMT2A
SCHEMBL7501769 0.82 ALOX5 (0.38) AKT1ALOX5MAPTMEN1KMT2A
SCHEMBL20822170 0.82 ALOX5 (0.34) AKT1ALOX5MAPTMEN1KMT2A
SCHEMBL20819447 0.82 ALOX5 (0.41) AKT1ALOX5MAPTMEN1KMT2A
SCHEMBL8843243 0.82 ALOX5 (0.37) AKT1ALOX5MAPTMEN1KMT2A
SCHEMBL20819448 0.82 ALOX5 (0.41) AKT1ALOX5MAPTMEN1KMT2A
SCHEMBL15851246 0.81 MAPT (0.41) ALOX5MAPTMEN1KMT2ATDP1
SCHEMBL10350387 0.79 ALOX5 (0.42) AKT1ALOX5MAPTMEN1KMT2A
SCHEMBL7799058 0.79 ALOX5 (0.45) AKT1ALOX5MAPTMEN1KMT2A

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
WO-2019053605-A1 SYNTHESIS OF TOCOTRIENOLS FROM O-CRESOL DERIVATIVES ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2019-03-21 WO disclosed