SCHEMBL22745296

SCHEMBL22745296

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
UCHL1 P09936 2/20 0.39
EPHX1 P07099 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP30 Q70CQ3 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
SCHEMBL15356409 0.86 HSD17B10 (0.47) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL190173 0.85 HSD17B10 (0.49) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL17244010 0.85 HSD17B10 (0.49) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL40804 0.85 HSD17B10 (0.49) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL338312 0.85 HSD17B10 (0.49) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL3595877 0.84 HSD17B10 (0.48) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL3563098 0.84 HSD17B10 (0.48) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL5848791 0.84 HSD17B10 (0.48) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL19958804 0.83 HSD17B10 (0.47) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL3612674 0.83 HSD17B10 (0.47) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD

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
EP-3504214-B1 FUSED TRICYCLIC PYRIDAZINONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2020-12-02 EP disclosed