SCHEMBL7767608

SCHEMBL7767608

O=C(O)Oc1cc(=O)c2c(OCC(O)COc3cccc4occc(=O)c34)cccc2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 3/20 0.60
▸ LMNA P02545 2/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ MAOB P27338 2/20 0.50
▸ MAOA P21397 1/20 0.45
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ ADRB2 P07550 4/20 0.36
▸ NMT2 O60551 2/20 0.36
▸ ADRB1 P08588 2/20 0.36
▸ ADRB3 P13945 2/20 0.36
▸ NMT1 P30419 2/20 0.36
▸ HPGD P15428 4/20 0.35
▸ ABCG2 Q9UNQ0 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HSD17B10 Q99714 2/20 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
SCHEMBL9680958 0.92 GPR35 (0.70) GPR35LMNATDP1MEN1KMT2A
SCHEMBL7771432 0.87 MAOB (0.46) GPR35LMNATDP1MEN1KMT2A
SCHEMBL9246335 0.85 GPR35 (0.84) GPR35LMNATDP1MEN1KMT2A
SCHEMBL10307303 0.82 TDP1 (0.59) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11178199 0.81 GPR35 (0.54) GPR35LMNATDP1MEN1KMT2A
SCHEMBL14544412 0.80 GPR35 (0.65) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11537956 0.78 GPR35 (0.63) GPR35LMNATDP1MEN1KMT2A
SCHEMBL116724 0.78 GPR35 (0.72) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11209178 0.78 MAOB (0.56) GPR35LMNATDP1MEN1KMT2A
SCHEMBL116708 0.77 GPR35 (0.73) GPR35LMNATDP1MEN1KMT2A

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
EP-0741128-B1 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls HOFFMANN LA ROCHE (CH) 2001-06-20 — — EP disclosed
EP-0741128-A2 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1996-11-06 — — EP disclosed
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