SCHEMBL12903501

SCHEMBL12903501

CC(OC(=O)c1ccc(CC(=O)CN)cc1)OC(=O)c1cc2occc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ MMP2 P08253 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ SMYD3 Q9H7B4 1/20 0.30
▸ LOXL2 Q9Y4K0 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
SCHEMBL12903493 0.92 DAO (0.40) DAOKDM4ELMNATP53L3MBTL1
SCHEMBL12864263 0.91 DAO (0.42) DAOKDM4ELMNATP53L3MBTL1
SCHEMBL12903504 0.90 DAO (0.40) DAOKDM4ELMNATP53L3MBTL1
SCHEMBL12903494 0.84 DAO (0.44) DAOKDM4EGAAPOLBMMP2
SCHEMBL12864271 0.83 DAO (0.41) DAOKDM4ELMNATP53L3MBTL1
SCHEMBL12864273 0.82 DAO (0.59) DAOKDM4ELMNATP53L3MBTL1
SCHEMBL12864272 0.82 DAO (0.41) DAOKDM4ELMNATP53L3MBTL1
SCHEMBL12864264 0.81 DAO (0.54) DAOKDM4ELMNATP53L3MBTL1
SCHEMBL1170831 0.78 DAO (0.54) DAOKDM4ELMNATP53L3MBTL1
SCHEMBL1171045 0.77 DAO (0.50) DAOKDM4ELMNATP53L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011017634-A2 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACORE INC. (US) 2011-02-10 — — WO disclosed
WO-2010017418-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-11 — — WO disclosed
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