SCHEMBL6976635

SCHEMBL6976635

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
RECQL P46063 1/20 0.40
EPHX1 P07099 1/20 0.40
NR1H2 P55055 1/20 0.40
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR119 Q8TDV5 3/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
DPP4 P27487 1/20 0.37

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
SCHEMBL3246480 0.87 NR1H2 (0.41) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL6217654 0.87 HPGD (0.40) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL3244534 0.87 NR1H2 (0.41) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL5186931 0.85 MEN1 (0.39) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL426434 0.85 NR1H2 (0.39) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL6977617 0.85 MEN1 (0.39) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL427722 0.83 EPHX1 (0.38) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL19895485 0.83 GPR119 (0.39) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL447284 0.83 EPHX1 (0.38) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL25205542 0.83 HPGD (0.48) HPGDMEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051413-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-06-04 EP disclosed
EP-1051413-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2000-11-15 EP disclosed
WO-1999037635-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1999-07-29 WO disclosed