SCHEMBL8749406

SCHEMBL8749406

CN(C(=O)OC(C)(C)C)C1CC(ON)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
ASGR1 P07306 1/20 0.35
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
AURKA O14965 1/20 0.33
PDPK1 O15530 1/20 0.33
AURKB Q96GD4 1/20 0.33
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
KDM4D Q6B0I6 1/20 0.30
BUB1 O43683 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
SCHEMBL15342732 0.89 HSD11B1 (0.41) HSD11B1ASGR1CHRM2CHRM1CHRM3
SCHEMBL18687576 0.82 HSD11B1 (0.43) HSD11B1ASGR1CHRM2CHRM1CHRM3
SCHEMBL21997092 0.82 HSD11B1 (0.43) HSD11B1ASGR1CHRM2CHRM1CHRM3
SCHEMBL14805518 0.82 HSD11B1 (0.43) HSD11B1ASGR1CHRM2CHRM1CHRM3
SCHEMBL24439134 0.80 HSD11B1 (0.44) HSD11B1ASGR1CHRM2CHRM1CHRM3
SCHEMBL13567986 0.80 HSD11B1 (0.44) HSD11B1ASGR1CHRM2CHRM1CHRM3
SCHEMBL16081763 0.80 HSD11B1 (0.44) HSD11B1ASGR1CHRM2CHRM1CHRM3
SCHEMBL22822421 0.80 HSD11B1 (0.44) HSD11B1ASGR1CHRM2CHRM1CHRM3
SCHEMBL31236410 0.80 HSD11B1 (0.44) HSD11B1ASGR1CHRM2CHRM1CHRM3
SCHEMBL17184415 0.80 HSD11B1 (0.44) HSD11B1ASGR1CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644872-B1 ORNITHINE DECARBOXYLASE INHIBITING CYCLIC AMINOOXY COMPOUNDS CIBA GEIGY AG (CH) 1997-03-19 EP disclosed
US-5516806-A ANTITUMOR CIBA-GEIGY CORPORATION (US) 1996-05-14 US disclosed
EP-0644872-A1 ORNITHINE DECARBOXYLASE INHIBITING CYCLIC AMINOOXY COMPOUNDS. CIBA GEIGY AG (CH) 1995-03-29 EP disclosed
WO-1994024093-A1 ORNITHINE DECARBOXYLASE INHIBITING CYCLIC AMINOOXY COMPOUNDS CIBA-GEIGY AG (CH) 1994-10-27 WO disclosed