SCHEMBL5822987

SCHEMBL5822987

O=C(C=Cc1cccc(Cl)c1Cl)CC(=O)c1cc2ccc(Cl)cc2[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.41
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALOX15 P16050 6/20 0.36
▸ BACE1 P56817 2/20 0.36
▸ PTGS2 P35354 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ IDH1 O75874 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL1367988 0.87 BACE1 (0.46) DAOKMT2AMAPTMEN1ALDH1A1
SCHEMBL1367272 0.87 BACE1 (0.46) DAOKMT2AMAPTMEN1ALDH1A1
SCHEMBL1367270 0.87 BACE1 (0.46) DAOKMT2AMAPTMEN1ALDH1A1
SCHEMBL1366316 0.83 DAO (0.46) DAOKMT2AMAPTMEN1RAB9A
SCHEMBL1368303 0.83 DAO (0.46) DAOKMT2AMAPTMEN1RAB9A
SCHEMBL1366313 0.83 DAO (0.46) DAOKMT2AMAPTMEN1RAB9A
SCHEMBL1369662 0.79 DAO (0.40) DAOALOX15BACE1
SCHEMBL1366903 0.79 DAO (0.40) DAOALOX15BACE1
SCHEMBL1366905 0.79 DAO (0.40) DAOALOX15BACE1
SCHEMBL1369702 0.78 DAO (0.59) DAOALOX15EGFRIDH1

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-2006132947-A2 3-ACYL COUMARINS, THIOCHROMONES AND QUINOLONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-12-14 — — WO disclosed
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