SCHEMBL5743165

SCHEMBL5743165

CC(C)(C)OC(=O)N1CCCC1C(=O)C(C#N)C#N

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ UCHL1 P09936 3/20 0.46
▸ LMNA P02545 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ USP30 Q70CQ3 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SCN4A P35499 1/20 0.42
▸ CTSK P43235 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
SCHEMBL5411479 0.82 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1POLBUCHL1
SCHEMBL5411482 0.82 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1POLBUCHL1
SCHEMBL13819936 0.82 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1POLBUCHL1
SCHEMBL13827672 0.81 POLB (0.53) HSD17B10SMN1; SMN2NPC1POLBUCHL1
SCHEMBL10724820 0.79 HSD17B10 (0.53) HSD17B10SMN1; SMN2NPC1POLBUCHL1
SCHEMBL15828464 0.79 HSD17B10 (0.53) HSD17B10SMN1; SMN2NPC1UCHL1LMNA
SCHEMBL28133679 0.79 HSD17B10 (0.62) HSD17B10SMN1; SMN2NPC1UCHL1LMNA
SCHEMBL23157177 0.78 HSD17B10 (0.50) HSD17B10SMN1; SMN2NPC1POLBLMNA
SCHEMBL12158537 0.78 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1POLBUCHL1
SCHEMBL15113629 0.78 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1POLBUCHL1

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-1678146-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2006-07-12 — — EP disclosed
WO-2005040133-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-05-06 — — WO disclosed
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