SCHEMBL30030855

SCHEMBL30030855

COc1cc(OC)c2nc3c(n2c1)CC(C(C)(C)C)c1cc(C(=O)O)c(=O)[nH]c1-3

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ AKT1 P31749 1/20 0.32
▸ AKT2 P31751 1/20 0.32

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
SCHEMBL30031474 0.92 IDH1 (0.31) —
SCHEMBL30031308 0.92 IDH1 (0.31) —
SCHEMBL30031721 0.92 KDM4E (0.32) KDM4EALDH1A1POLBGAA
SCHEMBL30031950 0.92 KDM4E (0.32) KDM4EALDH1A1POLBGAA
SCHEMBL30031695 0.92 KDM4E (0.32) KDM4EALDH1A1POLBGAA
SCHEMBL30030840 0.92 IDH1 (0.31) —
SCHEMBL30031847 0.89 KDM4E (0.33) KDM4EALDH1A1POLBGAA
SCHEMBL30032609 0.89 KDM4E (0.33) KDM4EALDH1A1POLBGAA
SCHEMBL30032232 0.89 KDM4E (0.33) KDM4EALDH1A1POLBGAA
SCHEMBL30031286 0.86 — —

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-2022214937-A1 SUBSTITUTED TETRACYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2022-10-13 — — WO disclosed
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