SCHEMBL6626488

SCHEMBL6626488

CCCCCCCN1CCNC(=O)C1CC(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
KMT2A Q03164 3/20 0.56
LMNA P02545 1/20 0.55
MAPT P10636 2/20 0.53
ALDH1A1 P00352 5/20 0.51
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL6500741 1.00 POLB (0.57) POLBKMT2ALMNAMAPTALDH1A1
SCHEMBL12569137 0.82 TSHR (0.68) POLBKMT2ALMNAMAPTALDH1A1
SCHEMBL5104062 0.78 POLB (0.63) POLBKMT2ALMNAMAPTALDH1A1
SCHEMBL9003051 0.76 KMT2A (0.68) POLBKMT2ALMNAMAPTALDH1A1
SCHEMBL9003054 0.76 KMT2A (0.68) POLBKMT2ALMNAMAPTALDH1A1
SCHEMBL6487784 0.75 S1PR1 (0.37) POLBKMT2ALMNAALDH1A1
SCHEMBL5104059 0.74 POLB (0.62) POLBKMT2ALMNAMAPTALDH1A1
SCHEMBL19617048 0.74 LMNA (0.76) POLBKMT2ALMNAMAPTALDH1A1
SCHEMBL1343383 0.71 KMT2A (0.61) POLBKMT2ALMNAMAPTALDH1A1
SCHEMBL3119295 0.69 TSHR (0.69) POLBKMT2ALMNAALDH1A1MEN1

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-1187828-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-04-21 EP disclosed
EP-1187828-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2002-03-20 EP disclosed
WO-2000078748-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2000-12-28 WO disclosed