SCHEMBL31181468

SCHEMBL31181468

COc1cc(O)c2c(c1O)C(=O)C(C(CO)C(C)=O)=CC2=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.36
▸ COPS5 Q92905 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ EGFR P00533 10/20 0.34
▸ PTGS2 P35354 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ HK2 P52789 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL3132323 0.75 CYP3A4 (0.39) PKMLMNAHTTPTGS2
SCHEMBL5820540 0.75 PTGS2 (0.39) PKMLMNAHTTPTGS2MAOA
SCHEMBL5821593 0.69 PTGS2 (0.39) PKMLMNAHTTEGFRPTGS2
SCHEMBL3147213 0.65 CYP3A4 (0.39) PKMLMNAHTTPTGS2MEN1
SCHEMBL5820346 0.64 MEN1 (0.47) PKMLMNAHTTEGFRPTGS2
SCHEMBL28813544 0.63 PKM (0.47) PKMLMNAHTTPTGS2MEN1
SCHEMBL31536865 0.62 COPS5 (0.40) COPS5
Austrocortirubin SCHEMBL23199031 0.62 LCK (0.56) EGFRMAOAMEN1NPC1MAPT
Austrocortirubin SCHEMBL29357393 0.62 LCK (0.56) EGFRMAOAMEN1NPC1MAPT
SCHEMBL19303777 0.62 EGFR (0.38) LMNAHTTEGFRMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112867394-B9 Anti-VLA-4 antibodies with reduced effector function 马萨诸塞州渤健公司 2024-12-06 — — CN disclosed
CN-119080931-A Anti-VLA-4 antibodies with reduced effector function 马萨诸塞州渤健公司 2024-12-06 — — CN disclosed
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