SCHEMBL30439876

SCHEMBL30439876

CC(C)(C)OC(=O)C1C(=O)CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.38
UCHL1 P09936 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EPHX2 P34913 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 2/20 0.36

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
SCHEMBL4147539 0.91 NPC1 (0.39) HSD17B10NPC1UCHL1EPHX2LMNA
SCHEMBL10296209 0.88 NPC1 (0.41) HSD17B10NPC1UCHL1ALDH1A1LMNA
SCHEMBL3626968 0.88 HSD17B10 (0.46) HSD17B10NPC1UCHL1ALDH1A1LMNA
SCHEMBL31603663 0.88 MEN1 (0.42) HSD17B10ALDH1A1HPGDATM
SCHEMBL4717013 0.85 HSD17B10 (0.44) HSD17B10NPC1UCHL1ALDH1A1LMNA
SCHEMBL4397346 0.84 NPC1 (0.39) HSD17B10NPC1UCHL1ALDH1A1LMNA
SCHEMBL9699056 0.82 PDE4B (0.40) NPC1UCHL1ALDH1A1EPHX2
SCHEMBL4766170 0.81 HSD17B10 (0.42) HSD17B10NPC1UCHL1ALDH1A1LMNA
SCHEMBL3805159 0.81 HSD17B10 (0.42) HSD17B10NPC1UCHL1ALDH1A1LMNA
SCHEMBL29481662 0.81 MAPK1 (0.41) HSD17B10MAPK1CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116426583-A Method for preparing R-3-aminopiperidine and derivatives thereof by enzyme catalysis 湖州颐盛生物科技有限公司 2023-07-14 CN disclosed