SCHEMBL24712913

SCHEMBL24712913

CC(C)CC(C)(C)NC(=O)C(=O)NCCC(C)N1CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ ANPEP P15144 2/20 0.35
▸ RNPEP Q9H4A4 2/20 0.35
▸ DNPEP Q9ULA0 1/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ CACNA1I Q9P0X4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL23344387 0.83 GAA (0.35) SMN1; SMN2RAB9AGAAANPEPRNPEP
SCHEMBL21985484 0.75 SMN1; SMN2 (0.37) SMN1; SMN2RAB9AGAAANPEPRNPEP
SCHEMBL27413462 0.74 CYP2C19 (0.43) SMN1; SMN2RAB9AGAANPC1
SCHEMBL23344403 0.73 GAA (0.41) SMN1; SMN2RAB9AGAAANPEPRNPEP
SCHEMBL20407539 0.73 CCR5 (0.33) SMN1; SMN2ANPEPDNPEPKCNH2CACNA1I
SCHEMBL12254884 0.71 NPSR1 (0.42) SMN1; SMN2HSD17B10
SCHEMBL23344409 0.71 SMN1; SMN2 (0.35) SMN1; SMN2RAB9AGAAANPEPRNPEP
SCHEMBL12307258 0.68 MEN1 (0.47) SMN1; SMN2HSD17B10
SCHEMBL16314010 0.67 SMN1; SMN2 (0.37) SMN1; SMN2ANPEPRNPEPDNPEPHSD17B10
SCHEMBL23996139 0.65 CCR5 (0.32) —

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
US-20220389169-A1 THERMALLY-CONDUCTIVE CURABLE COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY 2022-12-08 — — US disclosed
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