SCHEMBL23109724

SCHEMBL23109724

COC(=O)[C@@]1(C=O)CCCc2c1ccc(Cl)c2F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EED O75530 1/20 0.34
▸ SUZ12 Q15022 1/20 0.34
▸ EZH2 Q15910 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ EPAS1 Q99814 1/20 0.34
▸ CYP11B2 P19099 2/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ SOD1 P00441 1/20 0.31
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL23109719 0.82 EED (0.36) EEDSUZ12EZH2HIF1AEPAS1
SCHEMBL23109830 0.81 EED (0.50) EEDSUZ12EZH2HIF1AEPAS1
SCHEMBL23109720 0.79 EED (0.34) EEDSUZ12EZH2HIF1AEPAS1
SCHEMBL23109722 0.78 EED (0.34) EEDSUZ12EZH2HIF1AEPAS1
SCHEMBL22975883 0.75 KDM1A (0.43) SOD1
SCHEMBL21344593 0.75 KDM1A (0.43) SOD1
SCHEMBL23109827 0.71 EED (0.35) EEDSUZ12EZH2HIF1AEPAS1
SCHEMBL28577011 0.70 DHODH (0.31) HPGD
SCHEMBL28571789 0.70 AR (0.38) HPGD
SCHEMBL29724325 0.68 EED (0.52) EEDSUZ12EZH2HIF1AEPAS1

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
WO-2021047616-A1 OXYNITRIDE HETEROCYCLIC HEPTANE-BASED SPIRO COMPOUND, INTERMEDIATE AND PREPARATION METHOD THEREFOR 苏州亚盛药业有限公司 2021-03-18 — — WO disclosed
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