SCHEMBL31355236

SCHEMBL31355236

COc1cc(C(=O)O)c(O)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CDC25B P30305 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA3 P07451 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA6 P23280 1/20 0.47
▸ CA5A P35218 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ CA5B Q9Y2D0 1/20 0.47
▸ AKR1C3 P42330 3/20 0.46
▸ AKR1C2 P52895 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 1/20 0.46

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
SCHEMBL18341497 0.90 NPC1 (0.53) SMN1; SMN2CDC25BKDM4EPOLBCA1
SCHEMBL31208074 0.88 CA12 (0.55) SMN1; SMN2KDM4EPOLBCA1CA2
SCHEMBL4400139 0.88 HMGB1 (0.55) SMN1; SMN2CDC25BKDM4EPOLBAKR1C3
SCHEMBL4959972 0.88 CA12 (0.55) SMN1; SMN2KDM4EPOLBCA1CA2
SCHEMBL29173959 0.85 POLB (0.44) SMN1; SMN2CDC25BKDM4EPOLBCA1
SCHEMBL23796830 0.83 ERN1 (0.50) SMN1; SMN2CDC25BCA1CA2
SCHEMBL30121092 0.83 ERN1 (0.50) SMN1; SMN2CDC25BCA1CA2
SCHEMBL4404238 0.83 THRA (0.47) SMN1; SMN2CDC25BKDM4EPOLBCA1
SCHEMBL15440287 0.82 SMN1; SMN2 (0.52) SMN1; SMN2CDC25BKDM4EPOLBCA1
SCHEMBL28493002 0.82 SMN1; SMN2 (0.52) SMN1; SMN2CDC25BKDM4EPOLBCA1

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-119613460-A Crystal form of macrocyclic binuclear cobalt complex, and preparation method and application thereof 广西师范大学 2025-03-14 — — CN disclosed
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