SCHEMBL30350498

SCHEMBL30350498

COc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYNJ2 O15056 3/20 0.74
▸ SOST Q9BQB4 2/20 0.74
▸ APP P05067 1/20 0.74
▸ XDH P47989 2/20 0.70
▸ ALDH1A1 P00352 1/20 0.57
▸ RECQL P46063 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ POLB P06746 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56

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
SCHEMBL21588168 1.00 SYNJ2 (0.74) SYNJ2SOSTAPPXDHALDH1A1
SCHEMBL23743745 0.94 XDH (0.65) SYNJ2SOSTAPPXDHALDH1A1
SCHEMBL21588102 0.90 ALDH1A1 (0.71) SYNJ2SOSTAPPXDHALDH1A1
SCHEMBL23698994 0.88 MAPT (0.75) SYNJ2SOSTAPPXDHALDH1A1
SCHEMBL16887971 0.88 MAPT (0.75) SYNJ2SOSTAPPXDHALDH1A1
SCHEMBL17485808 0.87 XDH (0.62) SYNJ2SOSTAPPXDHALDH1A1
SCHEMBL30641793 0.87 CBS (0.67) SYNJ2SOSTAPPXDHALDH1A1
SCHEMBL28684198 0.87 CBS (0.67) SYNJ2SOSTAPPXDHALDH1A1
SCHEMBL31190926 0.87 CBS (0.67) SYNJ2SOSTAPPXDHALDH1A1
SCHEMBL23743756 0.86 ALDH1A1 (0.73) SYNJ2SOSTAPPXDHALDH1A1

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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