SCHEMBL29424739

SCHEMBL29424739

CC(C)(C)OC(=O)N1CCCCC1NC1CCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ BTK Q06187 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PREP P48147 1/20 0.39
▸ GAA P10253 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
SCHEMBL29424743 0.95 EPHX1 (0.48) EPHX1HSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL5104597 0.83 EPHX1 (0.47) EPHX1HSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL28977448 0.83 EPHX1 (0.47) EPHX1HSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL4623508 0.83 EPHX1 (0.47) EPHX1HSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL6629578 0.81 EPHX1 (0.49) EPHX1HSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL1128495 0.81 EPHX1 (0.49) EPHX1HSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL4342921 0.81 EPHX1 (0.68) EPHX1HPGDSMN1; SMN2NPC1GAA
SCHEMBL28212010 0.80 EPHX1 (0.44) EPHX1HSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL29424741 0.79 EPHX1 (0.43) EPHX1HSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL1319725 0.79 EPHX1 (0.47) EPHX1HSD17B10HPGDBTKSMN1; SMN2

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-107949558-B Muscarinic agonists 赫普泰雅治疗有限公司 2022-03-15 — — CN disclosed
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