SCHEMBL7498266

SCHEMBL7498266

COCOCC(CO)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
ATM Q13315 1/20 0.37
CTSK P43235 6/20 0.37
CYP2D6 P10635 1/20 0.37
SYK P43405 1/20 0.36
CTSS P25774 2/20 0.35
PPARA Q07869 1/20 0.35
AAK1 Q2M2I8 4/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL6401398 0.87 CA1 (0.45) CA1CA2CA7ATMCTSK
SCHEMBL1987513 0.87 CA1 (0.45) CA1CA2CA7ATMCTSK
SCHEMBL1987512 0.87 CA1 (0.45) CA1CA2CA7ATMCTSK
SCHEMBL15304845 0.85 CA1 (0.39) CA1CA2CA7ATMCTSK
SCHEMBL1989346 0.84 CA1 (0.42) CA1CA2CA7ATMCTSK
SCHEMBL1989347 0.84 CA1 (0.42) CA1CA2CA7ATMCTSK
SCHEMBL26655989 0.81 CA1 (0.41) CA1CA2CA7ATMCTSK
SCHEMBL26655983 0.81 CA1 (0.41) CA1CA2CA7ATMCTSK
SCHEMBL2861782 0.81 CA1 (0.52) CA1CA2CA7ATMCTSK
SCHEMBL12057715 0.80 CA1 (0.45) CA1CA2CA7ATMCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723545-B1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 2002-05-08 EP disclosed
CN-1053188-C Quinolizinone type compounds ABBOTT LAB (US) 2000-06-07 CN disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed
CN-1137273-A Quinolizinone type compounds ABBOTT LAB (US) 1996-12-04 CN disclosed
US-5580872-A ADMINISTERING IN THE TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
WO-1995010519-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1995-04-20 WO disclosed