SCHEMBL6196007

SCHEMBL6196007

O=c1ccoc(C(O)c2ccc(Cl)cc2)c1O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
NQO1 P15559 1/20 0.38
FTO Q9C0B1 1/20 0.37
APP P05067 3/20 0.34
BRD4 O60885 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.33
DAO P14920 1/20 0.33
ADRB2 P07550 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
MGAM O43451 1/20 0.32

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
SCHEMBL6195630 0.84 KDM4E (0.41) KDM4ELMNAFTOAPPBRD4
SCHEMBL6196974 0.84 KDM4E (0.49) KDM4ELMNAFTOAPPBRD4
SCHEMBL6194369 0.84 KDM4E (0.41) KDM4ELMNAFTOAPPMAOA
SCHEMBL6195700 0.83 LMNA (0.43) KDM4ELMNANQO1FTOAPP
SCHEMBL6196526 0.80 KDM4E (0.41) KDM4ELMNAFTOAPP
SCHEMBL6198108 0.80 TOP2A (0.43) KDM4ELMNAFTOAPPBRD4
SCHEMBL6195385 0.79 APP (0.56) KDM4ELMNAAPPHPGD
SCHEMBL6198121 0.76 NQO1 (0.44) KDM4ELMNANQO1TSHRHIF1A
SCHEMBL6193498 0.74 ALDH1A1 (0.44) MAPK1HPGD
SCHEMBL6196338 0.73 LMNA (0.53) LMNAMAOAMAOBHPGD

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