SCHEMBL11012140

SCHEMBL11012140

CC(C)Oc1ccc2c(=O)c(-c3cccc(O)c3)coc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH2 P05091 7/20 0.77
▸ MAOA P21397 5/20 0.77
▸ MAOB P27338 5/20 0.77
▸ SMN1; SMN2 Q16637 8/20 0.76
▸ ALDH1A1 P00352 8/20 0.76
▸ NPC1 O15118 8/20 0.76
▸ RAB9A P51151 8/20 0.76
▸ MAPT P10636 8/20 0.76
▸ MEN1 O00255 5/20 0.76
▸ KMT2A Q03164 5/20 0.76
▸ HDAC6 Q9UBN7 3/20 0.76
▸ MAPK1 P28482 3/20 0.76
▸ POLB P06746 2/20 0.76
▸ GAA P10253 1/20 0.76
▸ PTGS1 P23219 1/20 0.76
▸ SLC6A2 P23975 1/20 0.76
▸ STAT1 P42224 1/20 0.76
▸ CASP3 P42574 1/20 0.76
▸ HTT P42858 1/20 0.76
▸ HIF1A Q16665 1/20 0.76

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
SCHEMBL10622990 0.90 ALDH2 (0.78) ALDH2MAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL1701110 0.87 ALDH2 (1.00) ALDH2MAOAMAOBSMN1; SMN2ALDH1A1
Ipriflavone SCHEMBL29485035 0.87 ALDH1A1 (1.00) ALDH2MAOAMAOBSMN1; SMN2ALDH1A1
Ipriflavone SCHEMBL111472 0.87 ALDH1A1 (1.00) ALDH2MAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL10711072 0.86 ALDH2 (0.80) ALDH2MAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL30527919 0.82 KDM4E (0.81) ALDH2MAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL2069094 0.82 KDM4E (0.81) ALDH2MAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL11012372 0.82 MAPT (0.73) ALDH2MAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL738941 0.81 ALDH2 (0.80) ALDH2MAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL2069266 0.80 MAPT (0.84) ALDH2MAOAMAOBSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0136569-A2 Isoflavone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-04-10 — — EP disclosed
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