SCHEMBL20399892

SCHEMBL20399892

COC(=O)CCOC[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
HSD17B10 Q99714 1/20 0.40
OPRD1 P41143 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 2/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
KDM1A O60341 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE8B O95263 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL21530355 1.00 SMN1; SMN2 (0.41) SMN1; SMN2ALOX5APFEN1HSD17B10OPRD1
SCHEMBL21530356 1.00 SMN1; SMN2 (0.41) SMN1; SMN2ALOX5APFEN1HSD17B10OPRD1
SCHEMBL26725270 0.92 HSD17B10 (0.41) SMN1; SMN2ALOX5APFEN1HSD17B10OPRD1
SCHEMBL29039402 0.92 HSD17B10 (0.41) SMN1; SMN2ALOX5APFEN1HSD17B10OPRD1
SCHEMBL20399344 0.87 HSD17B10 (0.44) SMN1; SMN2ALOX5APFEN1HSD17B10OPRD1
SCHEMBL20399345 0.87 HSD17B10 (0.44) SMN1; SMN2ALOX5APFEN1HSD17B10OPRD1
SCHEMBL31452738 0.84 HSD17B10 (0.43) SMN1; SMN2ALOX5APFEN1HSD17B10OPRD1
SCHEMBL6165737 0.84 ATM (0.46) SMN1; SMN2HSD17B10OPRD1NPC1ALDH1A1
SCHEMBL6165730 0.84 ATM (0.46) SMN1; SMN2HSD17B10OPRD1NPC1ALDH1A1
SCHEMBL32687093 0.83 HSD17B10 (0.42) SMN1; SMN2ALOX5APFEN1HSD17B10OPRD1

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-2018136401-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2018-07-26 WO disclosed