SCHEMBL8569713

SCHEMBL8569713

CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCNC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.41
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
UCHL1 P09936 1/20 0.38
SPR P35270 1/20 0.38

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
SCHEMBL30181867 1.00 HSD17B10 (0.43) HSD17B10NPC1PARP1ALDH1A1LMNA
SCHEMBL31218800 0.96 PARP1 (0.40) HSD17B10NPC1PARP1ALDH1A1
SCHEMBL31382277 0.93 HSD17B10 (0.42) HSD17B10NPC1PARP1ALDH1A1LMNA
SCHEMBL17001991 0.92 HSD17B10 (0.45) HSD17B10NPC1ALDH1A1LMNANPSR1
SCHEMBL20292150 0.92 HSD17B10 (0.45) HSD17B10NPC1ALDH1A1LMNANPSR1
SCHEMBL12539842 0.92 HSD17B10 (0.45) HSD17B10NPC1ALDH1A1LMNANPSR1
SCHEMBL8564945 0.89 NR1H2 (0.41) HSD17B10NPC1PARP1ALDH1A1
SCHEMBL24568068 0.89 HSD17B10 (0.43) HSD17B10NPC1PARP1ALDH1A1LMNA
SCHEMBL993785 0.89 CCR5 (0.38) HSD17B10PARP1
SCHEMBL20067006 0.89 CCR5 (0.38) HSD17B10PARP1

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-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP 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