SCHEMBL9945494

SCHEMBL9945494

Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@H](C)CCCCCCCC(C)C)CC2

nearest known ligand 0.89

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.89
PDPK1 O15530 3/20 0.89
PHLPP1 O60346 3/20 0.89
ILK Q13418 3/20 0.89
LMNA P02545 3/20 0.68
MAPT P10636 2/20 0.61
MEN1 O00255 1/20 0.61
GSTP1 P09211 1/20 0.61
TTPA P49638 1/20 0.61
KMT2A Q03164 1/20 0.61
USP2 O75604 1/20 0.61
THRB P10828 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
NR1I2 O75469 2/20 0.58
ALOX5 P09917 1/20 0.54

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
Gamma-Tocopherol SCHEMBL29373100 0.97 AKT1 (0.91) AKT1PDPK1PHLPP1ILKLMNA
Gamma-Tocopherol SCHEMBL8408124 0.97 AKT1 (0.91) AKT1PDPK1PHLPP1ILKLMNA
Gamma-Tocopherol SCHEMBL29620131 0.97 AKT1 (0.91) AKT1PDPK1PHLPP1ILKLMNA
Gamma-Tocopherol SCHEMBL14580952 0.97 AKT1 (0.91) AKT1PDPK1PHLPP1ILKLMNA
Gamma-Tocopherol SCHEMBL14695405 0.97 AKT1 (0.91) AKT1PDPK1PHLPP1ILKLMNA
Gamma-Tocopherol SCHEMBL39640 0.97 AKT1 (0.91) AKT1PDPK1PHLPP1ILKLMNA
Gamma-Tocopherol SCHEMBL17874900 0.97 AKT1 (0.91) AKT1PDPK1PHLPP1ILKLMNA
Gamma-Tocopherol SCHEMBL16430717 0.97 AKT1 (0.91) AKT1PDPK1PHLPP1ILKLMNA
SCHEMBL15441242 0.97 AKT1 (0.91) AKT1PDPK1PHLPP1ILKLMNA
Gamma-Tocopherol SCHEMBL120346 0.97 AKT1 (0.91) AKT1PDPK1PHLPP1ILKLMNA

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-2012078514-A1 CROSSLINKED POLYMERS INCLUDING ONE OR MORE ANTIOXIDANTS, METHODS FOR MAKING SAME AND METHODS FOR SELECTING ANTIOXIDANTS ZIMMER, INC. (US) 2012-06-14 WO disclosed