SCHEMBL30350360

SCHEMBL30350360

COCOc1cc(O)c2c(c1)OC(c1cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c1)C(O)C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.50
▸ SYNJ2 O15056 1/20 0.44
▸ APP P05067 1/20 0.44
▸ SOST Q9BQB4 1/20 0.44
▸ CYP2C9 P11712 4/20 0.44
▸ SLCO1B3 Q9NPD5 4/20 0.44
▸ SLCO1B1 Q9Y6L6 4/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ ALOX15 P16050 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ SLCO2B1 O94956 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ CYP2C19 P33261 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
SCHEMBL23202731 1.00 XDH (0.50) XDHSYNJ2APPSOSTCYP2C9
SCHEMBL28320416 0.89 ALDH1A1 (0.56) XDHAPPSOSTCYP2C9SLCO1B3
SCHEMBL21588097 0.87 XDH (0.59) XDHSYNJ2APPSOSTCYP2C9
SCHEMBL30350317 0.87 XDH (0.59) XDHSYNJ2APPSOSTCYP2C9
SCHEMBL23202737 0.83 XDH (0.42) XDHHPGDGAALMNA
SCHEMBL30350358 0.83 XDH (0.42) XDHHPGDGAALMNA
SCHEMBL31162789 0.81 ALDH1A1 (0.54) XDHSYNJ2APPSOSTALDH1A1
SCHEMBL30576357 0.81 ALDH1A1 (0.54) XDHSYNJ2APPSOSTALDH1A1
SCHEMBL23202736 0.80 PTGS1 (0.49) SYNJ2APPSOSTCYP3A4ALOX15
SCHEMBL30350345 0.80 PTGS1 (0.49) SYNJ2APPSOSTCYP3A4ALOX15

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
CN-110183431-B Compound for treating or preventing liver diseases 江苏新元素医药科技有限公司 2023-04-11 — — CN disclosed
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