SCHEMBL6198044

SCHEMBL6198044

N#Cc1ccc(C(O)c2occc(=O)c2OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
MAOB P27338 5/20 0.47
MAOA P21397 3/20 0.45
HPGD P15428 1/20 0.40
CASP3 P42574 1/20 0.40
HTT P42858 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
LSS P48449 1/20 0.39
MAPT P10636 1/20 0.38
AR P10275 1/20 0.38
IDH1 O75874 1/20 0.36
POLB P06746 1/20 0.36
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
KCNA2 P16389 1/20 0.35
KCNA5 P22460 1/20 0.35
KCNA1 Q09470 1/20 0.35

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
SCHEMBL6197659 0.88 LMNA (0.59) LMNAGAAMAOBMAOAHPGD
SCHEMBL6196494 0.85 LMNA (0.60) LMNAGAAMAOBMAOAHPGD
SCHEMBL6195867 0.85 LMNA (0.53) LMNAGAAMAOBMAOAHPGD
SCHEMBL6196338 0.85 LMNA (0.53) LMNAGAAMAOBMAOAHPGD
SCHEMBL6197598 0.85 LMNA (0.53) LMNAGAAMAOBMAOAHPGD
SCHEMBL6198576 0.82 LMNA (0.53) LMNAGAAMAOBMAOAHPGD
SCHEMBL8850418 0.81 LMNA (0.49) LMNAGAAMAOBMAOAHPGD
SCHEMBL6195803 0.81 LMNA (0.49) LMNAGAAMAOBMAOAMAPT
SCHEMBL6195402 0.81 LMNA (0.51) LMNAGAAMAOBMAOAHPGD
SCHEMBL6194020 0.77 LMNA (0.50) LMNAGAAMAOBMAOAHPGD

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-0768302-B1 Hydroxypyridinones NOVARTIS AG (CH) 2005-07-06 EP disclosed
US-5688815-A COMPOUNDS FOR REMOVAL OF EXCESS IRON IN MAMMALS CIBA GEIGY CORPORATION (US) 1997-11-18 US disclosed
EP-0768302-A2 Hydroxypyridinones Novartis AG (CH) 1997-04-16 EP disclosed