SCHEMBL13005256

SCHEMBL13005256

COC(=O)[C@@H]1C[C@H](C=O)CC2(C1)OCCO2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.39
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL1651723 0.85 CHRNB2 (0.40) MMP2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14018257 0.85 CHRNB2 (0.40) MMP2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16820690 0.82 MMP2 (0.40) MMP2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1651733 0.80 MMP2 (0.39) MMP2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13004649 0.76
SCHEMBL3386182 0.76
SCHEMBL13740486 0.74 CHRNB2 (0.50) MMP2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13739611 0.74 CHRNB2 (0.50) MMP2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13739914 0.74 CHRNB2 (0.50) MMP2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7517067 0.72 MMP2 (0.37) MMP2CHRNB2CHRNA4CHRNB4CHRNA3

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
EP-1858857-B1 AZABICYCLOALKANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS LILLY CO ELI (US) 2010-12-08 EP disclosed