SCHEMBL29265679

SCHEMBL29265679

CC(C)(C)OC(=O)N1CCCCC1C(=O)Cl

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
UCHL1 P09936 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD11B1 P28845 1/20 0.43
EPHX1 P07099 1/20 0.42

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
SCHEMBL6322189 0.95 HSD17B10 (0.59) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL6322183 0.95 HSD17B10 (0.59) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL22919994 0.88 CHRM2 (0.49) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL8226874 0.88 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL927348 0.85 HSD17B10 (0.56) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL77858 0.85 HSD17B10 (0.63) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL13804123 0.85 HSD17B10 (0.56) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL12427648 0.85 HSD17B10 (0.56) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL65491 0.85 HSD17B10 (0.63) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL65490 0.85 HSD17B10 (0.63) HSD17B10SMN1; SMN2NPC1LMNANPSR1

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-118239953-A Compounds for the treatment of PI3K gamma mediated diseases and uses thereof 中国科学院合肥物质科学研究院 2024-06-25 CN disclosed