SCHEMBL5307883

SCHEMBL5307883

COC[C@@H]1CCCCN1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.46
KDM1A O60341 1/20 0.43
ATM Q13315 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.42
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PREP P48147 1/20 0.39
RAB9A P51151 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
SCHEMBL5257475 1.00 PDE8B (0.46) PDE8BKDM1AATMHSD17B10HPGD
SCHEMBL12485875 1.00 PDE8B (0.46) PDE8BKDM1AATMHSD17B10HPGD
SCHEMBL3512019 0.95 HSD17B10 (0.47) PDE8BATMHSD17B10SMN1; SMN2ALOX5AP
SCHEMBL3512016 0.95 HSD17B10 (0.47) PDE8BATMHSD17B10SMN1; SMN2ALOX5AP
SCHEMBL792043 0.95 HSD17B10 (0.47) PDE8BATMHSD17B10SMN1; SMN2ALOX5AP
SCHEMBL4177439 0.89 HSD17B10 (0.40) ATMHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL70260 0.89 HSD17B10 (0.40) ATMHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL4177435 0.89 HSD17B10 (0.40) ATMHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL15206897 0.87 PDE8B (0.50) PDE8BKDM1AATMHSD17B10HPGD
SCHEMBL15342737 0.87 PDE8B (0.50) PDE8BKDM1AATMHSD17B10HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812445-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 EP disclosed
WO-2006046031-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 WO disclosed