SCHEMBL29039375

SCHEMBL29039375

COC(=O)[C@H](O)C1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 2/20 0.39
UCHL1 P09936 1/20 0.38
USP30 Q70CQ3 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
SCHEMBL26999281 1.00 HSD17B10 (0.44) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL29410731 1.00 HSD17B10 (0.44) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL20002164 0.86 HSD17B10 (0.45) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL9078951 0.86 HSD17B10 (0.44) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL7381169 0.85 HSD17B10 (0.49) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL19545913 0.85 HSD17B10 (0.46) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL31758003 0.85 HSD17B10 (0.49) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL20334461 0.85 HSD17B10 (0.46) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL6529031 0.85 HSD17B10 (0.49) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL18782375 0.85 HSD17B10 (0.41) 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-116234802-A Quinoline CGAS antagonist compounds 免疫传感器治疗股份有限公司 2023-06-06 CN disclosed