SCHEMBL9487513

SCHEMBL9487513

ONC1CCc2cc(Oc3ccccc3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
NPC1 O15118 2/20 0.43
PPARD Q03181 2/20 0.42
KDM4C Q9H3R0 2/20 0.42
MMP12 P39900 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PKM P14618 1/20 0.41
FAAH O00519 6/20 0.41
SCN3A Q9NY46 1/20 0.41
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL9489556 0.92 TAOK1 (0.48) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL9538124 0.82 CA12 (0.58) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL9488808 0.81 LIPG (0.57) HRH3MMP12SCN3A
SCHEMBL1744975 0.80 HRH3 (0.47) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL3629747 0.74 FFAR1 (0.55) PPARD
SCHEMBL9487675 0.73 HTR1A (0.45) PKMSCN3A
SCHEMBL9490261 0.73 MAOB (0.48) KDM4CPKM
SCHEMBL8664436 0.73 PDPK1 (0.66)
SCHEMBL2321988 0.73 PDPK1 (0.66)
SCHEMBL12214666 0.73 PPARD (0.75) PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0522000-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-13 EP claimed
WO-1991014674-A2 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-03 WO claimed
EP-0522000-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-13 EP disclosed
WO-1991014674-A2 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-03 WO disclosed