Sugi Predict

Sugi Predict / Compounds / SCHEMBL2593009

SCHEMBL2593009

SCHEMBL2593009

O=C(COc1ccccc1)Oc1ccc2c(c1)COC2=O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 8/20 0.59
▸ MAOB P27338 8/20 0.59
▸ MAPT P10636 4/20 0.52
▸ GAA P10253 1/20 0.52
▸ IMPDH2 P12268 6/20 0.50
▸ ABCG2 Q9UNQ0 3/20 0.46
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL14782691 0.82 MAOA (0.66) MAOAMAOBMAPTGAAIMPDH2
SCHEMBL2729559 0.76 MAPT (0.64) MAOAMAOBMAPTGAAIMPDH2
SCHEMBL30123554 0.76 MAOA (0.64) MAOAMAOBMAPTGAAALDH1A1
SCHEMBL15268421 0.76 MAOA (0.64) MAOAMAOBMAPTGAAALDH1A1
SCHEMBL30860693 0.75 MAOA (0.59) MAOAMAOBMAPTGAAKMT2A
SCHEMBL30860695 0.75 MAOA (0.59) MAOAMAOBMAPTGAAKMT2A
SCHEMBL23963396 0.74 MAOA (0.51) MAOAMAOBMAPTGAAIMPDH2
SCHEMBL24533736 0.74 ALOX15 (0.61) MAPTGAAKMT2AALDH1A1
SCHEMBL472034 0.73 ALOX15 (0.65) MAPTGAAKMT2AALDH1A1SMN1; SMN2
SCHEMBL7653097 0.73 PTPN7 (0.65) MAPTGAAKMT2AALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 — — WO disclosed