SCHEMBL21327459

SCHEMBL21327459

COCCCOc1cc(CC2(NC(=O)O)CCC2)c(C=O)nc1OC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP2B6 P20813 1/20 0.35
▸ TENT4A Q5XG87 1/20 0.35
▸ TENT4B Q8NDF8 1/20 0.35
▸ FGFR4 P22455 7/20 0.33
▸ KDM4E B2RXH2 4/20 0.32
▸ USP2 O75604 1/20 0.32
▸ EHMT2 Q96KQ7 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LPAR1 Q92633 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
SCHEMBL29714621 0.88 CYP2B6 (0.33) CYP2B6TENT4ATENT4BFGFR4KCNH2
SCHEMBL21327217 0.88 CYP2B6 (0.33) CYP2B6TENT4ATENT4BFGFR4KCNH2
SCHEMBL21327297 0.86 CYP2B6 (0.35) CYP2B6TENT4ATENT4BKDM4EUSP2
SCHEMBL21461928 0.81 CYP2B6 (0.33) CYP2B6TENT4ATENT4BFGFR4
SCHEMBL21327464 0.75 CYP2B6 (0.33) CYP2B6TENT4ATENT4B
SCHEMBL21327168 0.74 CYP2B6 (0.37) CYP2B6TENT4ATENT4BKDM4EUSP2
SCHEMBL2811767 0.74 CA1 (0.40) KDM4EUSP2KMT2AALDH1A1
SCHEMBL2806187 0.74 LPAR1 (0.36) KDM4EALDH1A1LPAR1
SCHEMBL21474401 0.73 HTR2A (0.37) CYP2B6TENT4ATENT4BKDM4EUSP2
SCHEMBL21327250 0.70 CYP2B6 (0.37) CYP2B6TENT4ATENT4BFGFR4

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
EP-3534903-A1 SUBSTITUTED PYRIDINONE-CONTAINING TRICYCLIC COMPOUNDS, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2019-09-11 — — EP disclosed
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