SCHEMBL3898258

SCHEMBL3898258

CC(C)(C)OC(=O)N1CCC[C@@H]1CCl

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ PDE8B O95263 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ATM Q13315 2/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL20893390 1.00 HSD17B10 (0.48) HSD17B10SMN1; SMN2ALDH1A1PDE8BNPC1
Methylene Chloride SCHEMBL28081516 0.88 POLB (0.53) HSD17B10SMN1; SMN2ALDH1A1PDE8BNPC1
SCHEMBL28054665 0.87 HSD17B10 (0.48) HSD17B10SMN1; SMN2ALDH1A1PDE8BNPC1
SCHEMBL6899788 0.85 HSD17B10 (0.49) HSD17B10SMN1; SMN2ALDH1A1PDE8BNPC1
SCHEMBL1467517 0.85 HSD17B10 (0.49) HSD17B10SMN1; SMN2ALDH1A1PDE8BNPC1
SCHEMBL3141725 0.85 HSD17B10 (0.49) HSD17B10SMN1; SMN2ALDH1A1PDE8BNPC1
SCHEMBL135177 0.85 L3MBTL1 (0.58) HSD17B10SMN1; SMN2ALDH1A1PDE8BNPC1
SCHEMBL47049 0.85 L3MBTL1 (0.58) HSD17B10SMN1; SMN2ALDH1A1PDE8BNPC1
SCHEMBL3576321 0.85 HSD17B10 (0.49) HSD17B10SMN1; SMN2ALDH1A1PDE8BNPC1
SCHEMBL133363 0.85 L3MBTL1 (0.58) HSD17B10SMN1; SMN2ALDH1A1PDE8BNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 — — EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 — — US disclosed
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