SCHEMBL31365200

SCHEMBL31365200

COCCCOc1cc2c(nc1OC)-c1[nH]c(=O)c(C(=O)O)cc1[C@@H](C(C)(C)C)O2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP2B6 P20813 1/20 0.42
▸ TENT4A Q5XG87 1/20 0.42
▸ TENT4B Q8NDF8 1/20 0.42
▸ CNR2 P34972 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL27200107 1.00 CYP2B6 (0.42) CYP2B6TENT4ATENT4BCNR2KDM4E
SCHEMBL27200124 0.87 CYP2B6 (0.33) CYP2B6TENT4ATENT4BCNR2
SCHEMBL31365221 0.87 CYP2B6 (0.33) CYP2B6TENT4ATENT4BCNR2
SCHEMBL27200119 0.87 CYP2B6 (0.49) CYP2B6TENT4ATENT4BCNR2KDM4E
SCHEMBL31365192 0.87 CYP2B6 (0.49) CYP2B6TENT4ATENT4BCNR2KDM4E
SCHEMBL31365217 0.84 CYP2B6 (0.33) CYP2B6TENT4ATENT4B
SCHEMBL27200093 0.84 CYP2B6 (0.33) CYP2B6TENT4ATENT4B
SCHEMBL31365202 0.83 CNR2 (0.37) CYP2B6TENT4ATENT4BCNR2
SCHEMBL27200139 0.83 CNR2 (0.37) CYP2B6TENT4ATENT4BCNR2
SCHEMBL22898887 0.82 CYP2B6 (0.52) CYP2B6TENT4ATENT4BCNR2KDM4E

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-2025008288-A1 9-OXO-9,10-DIHYDRO-6H-PYRANO[3,2-B:4,5-B']DIPYRIDINE-8-CARBOXYLIC ACID DERIVATIVES CENTENARA LABS AG (CH) 2025-01-09 — — WO disclosed
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