SCHEMBL1118458

SCHEMBL1118458

CC(C)(C)OC(=O)N1CC[C@H]1C(N)=S

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ EPHX1 P07099 1/20 0.40
▸ NR1H2 P55055 1/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ SCN4A P35499 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL23458190 1.00 HSD17B10 (0.46) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL2636790 0.90 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL1118385 0.90 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL1799846 0.90 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL1118578 0.89 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL2308815 0.89 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL2308822 0.89 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL5069216 0.86 HSD17B10 (0.48) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL29755212 0.86 HSD17B10 (0.48) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL1398934 0.86 HSD17B10 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280704-A1 OXYMETHYLENE ARYL COMPOUNDS AND USES THEREOF METABOLEX, INC. (US) 2011-02-09 — — EP disclosed
WO-2009123992-A1 OXYMETHYLENE ARYL COMPOUNDS AND USES THEREOF METABOLEX, INC. (US) 2009-10-08 — — WO disclosed
Send feedback