SCHEMBL14908409

SCHEMBL14908409

O=C(C(=O)c1ccc(OCCOCCO)cc1)c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 6/20 0.53
▸ GAA P10253 1/20 0.49
▸ ALDH2 P05091 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CYP19A1 P11511 1/20 0.46
▸ RARB P10826 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SLCO1B3 Q9NPD5 1/20 0.46
▸ SLCO1B1 Q9Y6L6 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ MAPT P10636 1/20 0.45

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
SCHEMBL14901578 0.90 GAA (0.61) APPGAAALDH2L3MBTL1CYP19A1
SCHEMBL3469102 0.90 GAA (0.61) APPGAAALDH2L3MBTL1CYP19A1
SCHEMBL1412728 0.88 APP (0.64) APPALDH2L3MBTL1CYP19A1MEN1
SCHEMBL1412773 0.88 APP (0.64) APPALDH2L3MBTL1CYP19A1MEN1
SCHEMBL1815639 0.88 APP (0.64) APPALDH2L3MBTL1CYP19A1MEN1
SCHEMBL1412776 0.88 APP (0.64) APPALDH2L3MBTL1CYP19A1MEN1
SCHEMBL16561442 0.84 THRA (0.57) APPCYP19A1RARBMAPT
SCHEMBL2899073 0.83 APP (0.58) APPALDH2L3MBTL1CYP19A1RARB
SCHEMBL5780070 0.83 GAA (0.69) APPGAAL3MBTL1RARBMEN1
SCHEMBL2901627 0.83 APP (0.58) APPALDH2L3MBTL1CYP19A1RARB

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-2013062605-A1 NETWORK CONJUGATED POLYMERS WITH ENHANCED SOLUBILITY HITACHI CHEMICAL RESEARCH, INC. (US) 2013-05-02 — — WO disclosed
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