SCHEMBL14568802

SCHEMBL14568802

CCCCO[C@@H]1C[C@@H](COC(C)=O)OC(OC(C)=O)[C@@H]2OC(CC)(CC)O[C@H]12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPP5C P53041 1/20 0.39
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL14429352 0.81 CYP2D6 (0.31) THRBHSD17B10
SCHEMBL14429341 0.81 CYP2D6 (0.31) THRBHSD17B10
SCHEMBL14568800 0.80 PPP5C (0.38) PPP5CALDH1A1CYP3A4MAPTTHRB
SCHEMBL14569023 0.79 HSD17B10 (0.40) ALDH1A1CYP3A4MAPTTHRBCYP2C19
SCHEMBL14568665 0.76 ALDH1A1 (0.36) PPP5CALDH1A1CYP3A4MAPTTHRB
SCHEMBL14429337 0.74 CYP2D6 (0.31) ALDH1A1CYP3A4MAPTTHRBCYP2C19
SCHEMBL1627641 0.71 CA2 (0.42) ALDH1A1CYP3A4MAPTTHRBCYP2C19
SCHEMBL1626249 0.71 CA2 (0.42) ALDH1A1CYP3A4MAPTTHRBCYP2C19
SCHEMBL1627640 0.71 CA2 (0.42) ALDH1A1CYP3A4MAPTTHRBCYP2C19
SCHEMBL1626250 0.71 CA2 (0.42) ALDH1A1CYP3A4MAPTTHRBCYP2C19

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-2007025043-A2 SEVEN-MEMBERED RING NUCLEOSIDES IDENIX PHARMACEUTICALS, INC. (US) 2007-03-01 WO disclosed