SCHEMBL13648552

SCHEMBL13648552

COC(=O)C1C2CC3C1C(=O)O[C@H]3C2OC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 12/20 0.34
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRM1 P35372 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL24861755 1.00 OPRK1 (0.34) OPRK1ALDH1A1GLAHPGDHTT
SCHEMBL14219797 1.00 OPRK1 (0.34) OPRK1ALDH1A1GLAHPGDHTT
SCHEMBL21467418 0.89 TAS2R46 (0.30)
SCHEMBL15216837 0.89 ALDH1A1 (0.34) ALDH1A1GLAHPGDHTTMEN1
SCHEMBL25514459 0.87 OPRK1 (0.34) OPRK1ALDH1A1GLAHPGDHTT
SCHEMBL25564584 0.87 LMNA (0.32) ALDH1A1HTTNPC1TP53RAB9A
SCHEMBL13481221 0.87 ALDH1A1 (0.34) ALDH1A1GLAHPGDHTTMEN1
SCHEMBL22200986 0.87 HTT (0.33) OPRK1ALDH1A1GLAHPGDHTT
SCHEMBL92274 0.87 HTT (0.33) OPRK1ALDH1A1GLAHPGDHTT
SCHEMBL23077918 0.87 HTT (0.33) OPRK1ALDH1A1GLAHPGDHTT

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-2009119894-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-10-01 WO disclosed