SCHEMBL8788335

SCHEMBL8788335

COCOc1ccc2cc(I)c(=O)oc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 3/20 0.48
CA12 O43570 5/20 0.46
CA9 Q16790 5/20 0.46
CA1 P00915 4/20 0.46
CA6 P23280 4/20 0.46
CA7 P43166 4/20 0.46
CA14 Q9ULX7 4/20 0.46
CA5B Q9Y2D0 3/20 0.46
CA4 P22748 3/20 0.46
CA5A P35218 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAOB P27338 5/20 0.45
RAB9A P51151 4/20 0.45
MAOA P21397 3/20 0.45
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
SLC16A3 O15427 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL8787053 0.83 ALDH1A1 (0.61) GLACA12CA9CA1CA6
SCHEMBL6939176 0.81 NPC1 (0.65) GLAMAOBRAB9AMAOANPC1
SCHEMBL1104929 0.80 GLA (0.76) GLACA12CA9CA1CA6
SCHEMBL2984644 0.79 CA12 (0.71) GLACA12CA9CA1CA6
SCHEMBL5854161 0.78 MIF (0.61) GLAMAOBRAB9AMAOANPC1
SCHEMBL5854157 0.77 MIF (0.56) GLAMAOBRAB9AMAOANPC1
SCHEMBL8787461 0.75 NPC1 (0.51) GLAMAOBRAB9ANPC1ALDH1A1
SCHEMBL3584796 0.75 CYP2A6 (0.69) CA12CA9CA1CA6CA7
SCHEMBL30777876 0.71 ALDH1A1 (0.71) CA12CA1CA7CA5BCA4
SCHEMBL6592197 0.71 MAOB (0.39) GLACA12CA9CA1CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5698575-A Chromone compounds, pharmaceutical compositions containing the same, and use of the same KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1997-12-16 US disclosed
EP-0758649-A1 Chromone derivative, process for preparing same and pharmaceutical composition Kureha Chemical Industry Co., Ltd. (JP) 1997-02-19 EP disclosed