SCHEMBL10183264

SCHEMBL10183264

COC[C@@H](COC(C)=O)O[C@H](C(C)OC(C)=O)n1c(=O)sc2cnc(N)nc21

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
ADRA1A P35348 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL6984567 1.00 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL6984581 0.85 HSD17B10 (0.37) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL10181868 0.85 HSD17B10 (0.37) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL6983873 0.80 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL18948300 0.80 KDM4E (0.42) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL14724993 0.78 LMNA (0.33) HSD17B10
SCHEMBL14725022 0.76 KDM4E (0.31) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL6983722 0.76 KDM4E (0.31) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL12809034 0.70 KDM4E (0.46) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL23598403 0.69 KDM4E (0.34) ALDH1A1KDM4EHPGDADRA1AHSD17B10

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