SCHEMBL27555044

SCHEMBL27555044

CC(=O)OC(OC(C)=O)c1cccc2c(=O)c(-c3ccccc3)coc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 4/20 0.49
▸ ALOX12 P18054 4/20 0.49
▸ ALDH1A1 P00352 9/20 0.48
▸ NPC1 O15118 6/20 0.48
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ MAPT P10636 6/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ POLB P06746 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ STAT1 P42224 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44

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
SCHEMBL27563343 0.81 SMN1; SMN2 (0.48) ALOX15ALOX12ALDH1A1NPC1SMN1; SMN2
SCHEMBL27555045 0.80 ALOX15 (0.57) ALOX15ALOX12ALDH1A1NPC1SMN1; SMN2
Sulfuric Acid SCHEMBL21465852 0.75 ALOX15 (0.51) ALOX15ALOX12ALDH1A1NPC1SMN1; SMN2
SCHEMBL8876175 0.73 ALOX15 (0.58) ALOX15ALOX12ALDH1A1NPC1SMN1; SMN2
SCHEMBL10486563 0.73 ALOX15 (0.70) ALOX15ALOX12ALDH1A1NPC1SMN1; SMN2
SCHEMBL30937511 0.72 ALOX15 (0.54) ALOX15ALOX12ALDH1A1NPC1SMN1; SMN2
SCHEMBL27984738 0.72 ALOX15 (0.54) ALOX15ALOX12ALDH1A1NPC1SMN1; SMN2
SCHEMBL28576970 0.72 ALOX15 (0.60) ALOX15ALOX12ALDH1A1NPC1SMN1; SMN2
SCHEMBL30903607 0.72 ALOX15 (0.60) ALOX15ALOX12ALDH1A1NPC1SMN1; SMN2
SCHEMBL4300808 0.72 MAPT (0.61) ALOX15ALOX12ALDH1A1NPC1SMN1; SMN2

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
CN-1340048-A Production of isoflavone derivatives NOVOGEN RES PTY LTD (AU) 2002-03-13 — — CN claimed
CN-100564370-C The preparation of isoflavone derivative NOVOGEN RES PTY LTD (AU) 2009-12-02 — — CN disclosed
CN-1340048-A Production of isoflavone derivatives NOVOGEN RES PTY LTD (AU) 2002-03-13 — — CN disclosed
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