SCHEMBL14458060

SCHEMBL14458060

CC1=C(C)C(O)CC(C)(C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.36
▸ PTPN1 P18031 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ TDO2 P48775 1/20 0.31

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
SCHEMBL14458061 1.00 MAPT (0.36) MAPTPTPN1IDO1TDO2
SCHEMBL3632209 0.81 MAPT (0.36) MAPTPTPN1IDO1TDO2
SCHEMBL3158686 0.81 MAPT (0.36) MAPTPTPN1IDO1TDO2
SCHEMBL3161230 0.81 MAPT (0.36) MAPTPTPN1IDO1TDO2
SCHEMBL3659400 0.78 MAPT (0.34) MAPT
SCHEMBL3659823 0.78 MAPT (0.34) MAPT
SCHEMBL5605733 0.76 IDO1 (0.33) MAPTIDO1TDO2
SCHEMBL3162292 0.76 IDO1 (0.33) MAPTIDO1TDO2
SCHEMBL24898910 0.72 MAPT (0.30) MAPT
SCHEMBL13479444 0.70 MAPT (0.46) MAPTPTPN1IDO1TDO2

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
US-7247752-B2 Stereoselectively reducing 2,6,6-trimethyl-2-cyclohexene-1,4-dione with an optically active chiral catalyst to form an optically active hydroxycyclohexenone, contacting the product with a reducing agent to form an optically active diol, and using the diol to form astaxanthin CARDAX PHARMACEUTICALS, INC. (US) 2007-07-24 — — US disclosed
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