SCHEMBL3228582

SCHEMBL3228582

COc1ccc(CSc2ccc(OC)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.82
▸ MAOB P27338 3/20 0.74
▸ MAOA P21397 2/20 0.74
▸ DAO P14920 2/20 0.55
▸ IDO1 P14902 3/20 0.53
▸ HDAC3 O15379 1/20 0.52
▸ NCOR1 O75376 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ CA12 O43570 2/20 0.48

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
SCHEMBL11044221 0.94 APP (0.74) APPMAOBMAOADAOIDO1
SCHEMBL19059386 0.94 APP (0.74) APPMAOBMAOADAOIDO1
SCHEMBL12945246 0.91 APP (0.70) APPMAOBMAOADAOIDO1
SCHEMBL11044220 0.91 APP (0.70) APPMAOBMAOADAOIDO1
SCHEMBL9475495 0.91 APP (0.70) APPMAOBMAOADAOIDO1
SCHEMBL18475586 0.91 APP (1.00) APPMAOBMAOADAOIDO1
SCHEMBL2433694 0.90 APP (0.69) APPMAOBMAOAHDAC3NCOR1
SCHEMBL2272164 0.90 APP (0.69) APPMAOBMAOADAOIDO1
SCHEMBL8255854 0.87 APP (0.65) APPMAOBMAOADAOIDO1
SCHEMBL2707482 0.86 MAOB (1.00) APPMAOBMAOADAOALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010030787-A1 ESTROGEN RECEPTOR LIGANDS RADIUS HEALTH, INC. (US) 2010-03-18 — — WO disclosed
WO-2010030787-A1 ESTROGEN RECEPTOR LIGANDS RADIUS HEALTH, INC. (US) 2010-03-18 — — WO disclosed
EP-0433024-B1 Colour recording medium containing leuco dye FUJI PHOTO FILM CO LTD (JP) 1994-09-21 — — EP disclosed
EP-0433024-A1 Colour recording medium containing leuco dye FUJI PHOTO FILM CO., LTD. (JP) 1991-06-19 — — EP disclosed
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