SCHEMBL10335311

SCHEMBL10335311

COc1cc(C2Oc3cc(O)cc(OC)c3C(=O)C2O)cc(O)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.67
▸ SOST Q9BQB4 2/20 0.67
▸ SYNJ2 O15056 1/20 0.67
▸ APP P05067 1/20 0.67
▸ ALDH1A1 P00352 3/20 0.58
▸ SLCO1B3 Q9NPD5 4/20 0.55
▸ SLCO1B1 Q9Y6L6 4/20 0.55
▸ SLCO2B1 O94956 3/20 0.55
▸ CYP3A4 P08684 4/20 0.54
▸ ALOX15 P16050 4/20 0.54
▸ MAPT P10636 3/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ RECQL P46063 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ ALOX12 P18054 2/20 0.54
▸ HIF1A Q16665 2/20 0.54
▸ POLB P06746 1/20 0.54

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
SCHEMBL30152781 0.93 SOST (0.79) XDHSOSTSYNJ2APPALDH1A1
SCHEMBL30152833 0.93 SOST (0.79) XDHSOSTSYNJ2APPALDH1A1
SCHEMBL15543702 0.93 SOST (0.79) XDHSOSTSYNJ2APPALDH1A1
SCHEMBL23743756 0.89 ALDH1A1 (0.73) XDHSOSTSYNJ2APPALDH1A1
SCHEMBL30256406 0.89 XDH (0.76) XDHSOSTSYNJ2APPALDH1A1
SCHEMBL4951008 0.89 XDH (0.76) XDHSOSTSYNJ2APPALDH1A1
SCHEMBL28460634 0.87 CYP2C9 (0.68) XDHSOSTALDH1A1SLCO1B3SLCO1B1
SCHEMBL23743745 0.87 XDH (0.65) XDHSOSTSYNJ2APPALDH1A1
SCHEMBL16887994 0.87 XDH (0.73) XDHSOSTSYNJ2ALDH1A1SLCO1B3
SCHEMBL21588102 0.85 ALDH1A1 (0.71) XDHSOSTSYNJ2APPALDH1A1

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
EP-0290442-A4 PHARMACOLOGICALLY ACTIVE COMPOUNDS AND MIXTURES THEREOF, ORGANIC COMPOSITIONS AND METAL SALTS. CHEMEX PHARMACEUTICALS INC (US) 1990-07-03 — — EP disclosed
EP-0290442-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS AND MIXTURES THEREOF, ORGANIC COMPOSITIONS AND METAL SALTS CHEMEX PHARMACEUTICALS, INC. (US) 1988-11-17 — — EP disclosed
WO-1988003805-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS AND MIXTURES THEREOF, ORGANIC COMPOSITIONS AND METAL SALTS CHEMEX PHARMACEUTICALS, INC. (US) 1988-06-02 — — WO disclosed
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