SCHEMBL8936130

SCHEMBL8936130

CC(C)(C)OC(=O)N1CC(=O)C[C@@H]1CO

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 2/20 0.35
PARP1 P09874 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SRC P12931 4/20 0.35
HSD11B1 P28845 1/20 0.34
TACR1 P25103 2/20 0.34

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
SCHEMBL25569896 0.87 ATM (0.37) NR1H2MEN1KMT2AATMPARP1
SCHEMBL19390106 0.86 NR1H2 (0.39) NR1H2MEN1KMT2AATMPARP1
SCHEMBL6183315 0.86 HSD17B10 (0.35) NR1H2MEN1KMT2AATMPARP1
SCHEMBL9696891 0.84 MEN1 (0.34) NR1H2MEN1KMT2AATMPARP1
SCHEMBL19390116 0.84 ATM (0.41) NR1H2MEN1KMT2AATMPARP1
SCHEMBL19074545 0.84 MEN1 (0.34) NR1H2MEN1KMT2AATMPARP1
SCHEMBL29280769 0.84 MEN1 (0.34) NR1H2MEN1KMT2AATMPARP1
SCHEMBL31048365 0.83 NR1H2 (0.37) NR1H2MEN1KMT2AATMSRC
SCHEMBL584255 0.83 NR1H2 (0.41) NR1H2MEN1KMT2ACHRM2CHRM1
SCHEMBL2839477 0.83 NR1H2 (0.41) NR1H2MEN1KMT2ACHRM2CHRM1

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-0659178-A4 CHIRAL QUINOLONE INTERMEDIATES. ABBOTT LAB (US) 1996-03-27 EP disclosed
EP-0659178-A1 CHIRAL QUINOLONE INTERMEDIATES ABBOTT LABORATORIES (US) 1995-06-28 EP disclosed
WO-1994006766-A1 CHIRAL QUINOLONE INTERMEDIATES ABBOTT LABORATORIES (US) 1994-03-31 WO disclosed
US-5252747-A Chiral quinolone intermediates ABBOTT LABORATORIES (US) 1993-10-12 US disclosed