SCHEMBL10147766

SCHEMBL10147766

C=C(C)O[C@@H]1C[C@@H](COC(C)=O)O[C@H]1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.34
TSHR P16473 1/20 0.34
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA9 Q16790 4/20 0.33
PDK1 Q15118 1/20 0.32
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 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
SCHEMBL10147760 0.82 NPC1 (0.45) ALDH1A1MEN1KMT2A
SCHEMBL6973373 0.81 ALDH1A1 (0.38) ALDH1A1TSHRCA12CA1CA2
SCHEMBL10147750 0.75 TSHR (0.33) TSHRCA12CA1CA2CA9
SCHEMBL19938179 0.71 MAPT (0.36) ALDH1A1MAPTTSHRCA12CA1
SCHEMBL10147765 0.70 THRB (0.49) ALDH1A1MAPTTSHRCA12CA1
SCHEMBL10147759 0.70 THRB (0.49) ALDH1A1MAPTTSHRCA12CA1
SCHEMBL10147719 0.70 MAPT (0.42) ALDH1A1MAPTTSHRCA12CA1
SCHEMBL10147748 0.70 NPC1 (0.48) ALDH1A1
SCHEMBL1626250 0.70 CA2 (0.42) ALDH1A1MAPTTSHRCA12CA1
SCHEMBL1627640 0.70 CA2 (0.42) ALDH1A1MAPTTSHRCA12CA1

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-8097718-B2 3,5-disubstituted and 3,5,7-trisubstituted-3H-oxazolo and 3H-thiazolo[4,5-d]pyrimidin-2-one compounds and prodrugs thereof ANADYS PHARMACEUTICALS, INC. (US) 2012-01-17 US disclosed