SCHEMBL29670818

SCHEMBL29670818

CC(C)=CCC[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.70
MAPT P10636 2/20 0.57
LMNA P02545 2/20 0.57
MEN1 O00255 1/20 0.57
GSTP1 P09211 1/20 0.57
TTPA P49638 1/20 0.57
KMT2A Q03164 1/20 0.57
USP2 O75604 1/20 0.57
THRB P10828 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
NR1I2 O75469 2/20 0.56
CYP4F2 P78329 1/20 0.50
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49

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
SCHEMBL23166794 1.00 ALOX5 (0.70) ALOX5MAPTLMNAMEN1GSTP1
SCHEMBL31369406 1.00 ALOX5 (0.70) ALOX5MAPTLMNAMEN1GSTP1
SCHEMBL7642467 1.00 ALOX5 (0.70) ALOX5MAPTLMNAMEN1GSTP1
SCHEMBL23166879 1.00 ALOX5 (0.70) ALOX5MAPTLMNAMEN1GSTP1
SCHEMBL29670814 1.00 ALOX5 (0.70) ALOX5MAPTLMNAMEN1GSTP1
SCHEMBL23166910 0.93 ALOX5 (0.82) ALOX5MAPT
SCHEMBL23167044 0.93 ALOX5 (0.82) ALOX5MAPT
Alpha-Tocotrienol SCHEMBL2364445 0.93 ALOX5 (0.82) ALOX5MAPT
Alpha-Tocotrienol SCHEMBL31053049 0.93 ALOX5 (0.82) ALOX5MAPT
SCHEMBL23166911 0.93 ALOX5 (0.82) ALOX5MAPT

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
CN-114746430-A Quinone-, hydroquinone-and naphthoquinone-analogues of vattinoquinone for the treatment of mitochondrial disorders 康德生物医疗有限公司 2022-07-12 CN disclosed