SCHEMBL22725293

SCHEMBL22725293

CC(C)(C)OC(=O)N1CCC[C@H]1C1(O)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD11B1 P28845 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
UCHL1 P09936 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL28521198 1.00 HSD17B10 (0.48) HSD17B10NPC1ALDH1A1LMNANPSR1
SCHEMBL22725305 1.00 HSD17B10 (0.48) HSD17B10NPC1ALDH1A1LMNANPSR1
SCHEMBL25970105 0.95 HSD17B10 (0.50) HSD17B10NPC1ALDH1A1LMNANPSR1
SCHEMBL25970081 0.95 HSD17B10 (0.50) HSD17B10NPC1ALDH1A1LMNANPSR1
SCHEMBL25970131 0.94 HSD17B10 (0.49) HSD17B10NPC1ALDH1A1LMNANPSR1
SCHEMBL25970274 0.91 HSD17B10 (0.46) HSD17B10NPC1ALDH1A1LMNANPSR1
SCHEMBL25983994 0.89 HSD17B10 (0.45) HSD17B10NPC1ALDH1A1LMNANPSR1
SCHEMBL25970309 0.87 HSD17B10 (0.45) HSD17B10NPC1ALDH1A1LMNANPSR1
SCHEMBL29087405 0.84 HSD17B10 (0.46) HSD17B10NPC1ALDH1A1LMNANPSR1
SCHEMBL28526303 0.82 HSD17B10 (0.44) HSD17B10NPC1ALDH1A1LMNANPSR1

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
CN-113874374-B Hydrogenated pyridopyrimidine derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-12-27 CN disclosed
CN-113874374-A Hydrogenated pyridopyrimidine derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-12-31 CN disclosed
CN-112442029-A Tetrahydropyrido [3,4-d ] pyrimidine derivative and application thereof in medicine 四川海思科制药有限公司 2021-03-05 CN disclosed
WO-2020238791-A1 HYDROPYRIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2020-12-03 WO disclosed