SCHEMBL8817306

SCHEMBL8817306

O=C1CC(=O)c2cccc3oc(-c4ccccc4)c1c(=O)c23

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.46
▸ MEN1 O00255 6/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ CYP3A4 P08684 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.45
▸ ABCB1 P08183 3/20 0.41
▸ ADORA3 P0DMS8 3/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CYP1B1 Q16678 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ DDR2 Q16832 1/20 0.41

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
SCHEMBL1133630 0.88 MEN1 (0.45) KMT2AMEN1KDM4ECYP3A4MAPT
SCHEMBL22365669 0.81 MEN1 (0.56) KMT2AMEN1KDM4ECYP3A4MAPT
SCHEMBL9000013 0.79 MEN1 (0.45) KMT2AMEN1KDM4ECYP3A4MAPT
SCHEMBL22171993 0.74 MEN1 (0.44) KMT2AMEN1KDM4ECYP3A4MAPT
SCHEMBL27708510 0.71 CYP3A4 (0.74) KMT2AMEN1KDM4ECYP3A4MAPT
SCHEMBL2331452 0.71 MEN1 (0.55) KMT2AMEN1KDM4ECYP3A4MAPT
SCHEMBL10029716 0.71 KDM4E (0.44) KMT2AMEN1KDM4ECYP3A4MAPT
SCHEMBL28319788 0.71 MEN1 (0.44) KMT2AMEN1KDM4ECYP3A4MAPT
SCHEMBL4530776 0.68 NTRK1 (0.59) KMT2AMEN1KDM4ECYP3A4MAPT
SCHEMBL693914 0.67 KMT2A (0.69) KMT2AMEN1KDM4ECYP3A4MAPT

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
JP-9157156-A — — None — — JP disclosed
JP-H09157156-A BATH ARTICLE KIKKOMAN CORP 1997-06-17 — — JP disclosed
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