SCHEMBL7698140

SCHEMBL7698140

COCCCc1oc(C)cc(=O)c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
GAA P10253 1/20 0.44
IDH1 O75874 1/20 0.43
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 3/20 0.38
PKM P14618 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAOB P27338 3/20 0.38
ACHE P22303 1/20 0.38
MAOA P21397 2/20 0.37
KCNA3 P22001 3/20 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
SCHEMBL6997480 0.86 LMNA (0.49) LMNAGAAIDH1POLBL3MBTL1
SCHEMBL2115557 0.81 IDH1 (0.50) LMNAGAAIDH1POLBL3MBTL1
SCHEMBL2592753 0.81 LMNA (0.49) LMNAGAAIDH1POLBL3MBTL1
SCHEMBL6997976 0.79 LMNA (0.47) LMNAGAAIDH1POLBL3MBTL1
SCHEMBL15910022 0.77 LMNA (0.61) LMNAGAAIDH1POLBL3MBTL1
SCHEMBL3560853 0.75 LMNA (0.43) LMNAGAAIDH1POLBL3MBTL1
SCHEMBL15910031 0.75 IDH1 (0.50) LMNAGAAIDH1POLBALDH1A1
SCHEMBL2115663 0.74 LMNA (0.50) LMNAGAAIDH1POLBL3MBTL1
SCHEMBL6998848 0.73 IDH1 (0.54) LMNAGAAIDH1POLBL3MBTL1
SCHEMBL2116063 0.73 IDH1 (0.53) LMNAGAAIDH1POLBL3MBTL1

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
US-6335353-B1 3-HYDROXYPYRIDIN-4-ONE DERIVATIVE; IRON DEFICIENCY ANEMIA AND THALASSEMIA TREATMENT BTG INTERNATIONAL LIMITED (GB) 2002-01-01 US disclosed
EP-0984934-A1 NOVEL ORALLY ACTIVE IRON (III) CHELATORS BTG INTERNATIONAL LIMITED (Company No. 2664412) (GB) 2000-03-15 EP disclosed
WO-1998054138-A1 NOVEL ORALLY ACTIVE IRON (III) CHELATORS BTG INTERNATIONAL LIMITED (GB) 1998-12-03 WO disclosed