SCHEMBL19674641

SCHEMBL19674641

CC(O)O[C@@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 6/20 0.47
▸ RECQL P46063 1/20 0.47
▸ PRMT5 O14744 1/20 0.46
▸ WDR77 Q9BQA1 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ USP30 Q70CQ3 1/20 0.46
▸ USP2 O75604 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ EPHX1 P07099 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GPR119 Q8TDV5 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
SCHEMBL9032915 0.91 RECQL (0.52) RECQLPRMT5WDR77HPGDUSP2
SCHEMBL3332529 0.89 HPGD (0.47) PIK3CDRECQLPRMT5WDR77HPGD
SCHEMBL15802795 0.89 HPGD (0.47) PIK3CDRECQLPRMT5WDR77HPGD
SCHEMBL3332523 0.89 HPGD (0.47) PIK3CDRECQLPRMT5WDR77HPGD
SCHEMBL19852541 0.87 USP30 (0.45) PIK3CDRECQLPRMT5WDR77HPGD
SCHEMBL18839712 0.85 USP30 (0.46) PIK3CDRECQLPRMT5WDR77HPGD
SCHEMBL28597394 0.85 USP30 (0.46) PIK3CDRECQLPRMT5WDR77HPGD
SCHEMBL28585597 0.85 USP30 (0.46) PIK3CDRECQLPRMT5WDR77HPGD
SCHEMBL18839609 0.85 USP30 (0.46) PIK3CDRECQLPRMT5WDR77HPGD
SCHEMBL18839607 0.85 USP30 (0.46) PIK3CDRECQLPRMT5WDR77HPGD

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-2794600-B1 2,3-Dihydro-benzo[1,4]oxazine derivatives and related compounds as phosphoinositide-3 kinase (PI3K) inhibitors for the treatment of e.g. rheumatoid arthritis NOVARTIS AG (CH) 2017-12-06 — — EP disclosed
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