SCHEMBL5724946

SCHEMBL5724946

CCOc1ccc(C=C2COc3cc(O)ccc3C2=O)cc1OCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.67
MAPT P10636 5/20 0.65
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
ATM Q13315 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
MAOB P27338 5/20 0.64
ALDH1A1 P00352 3/20 0.57
CYP3A4 P08684 3/20 0.57
TP53 P04637 2/20 0.57
MAPK1 P28482 2/20 0.57
LMNA P02545 1/20 0.57
HPGD P15428 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
KDM4E B2RXH2 1/20 0.57
USP2 O75604 1/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CXCL12 P48061 1/20 0.56
ACHE P22303 1/20 0.51

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
SCHEMBL5724831 0.95 MAOB (0.67) MIFMAPTMEN1KMT2AATM
SCHEMBL5725448 0.95 MAOB (0.67) MIFMAPTMEN1KMT2AATM
SCHEMBL5725497 0.85 MAPT (0.77) MIFMAPTMEN1KMT2AATM
SCHEMBL25035409 0.82 CXCL12 (0.80) MIFMAPTMEN1KMT2AATM
SCHEMBL14160665 0.82 MAPT (0.82) MIFMAPTMEN1KMT2AATM
SCHEMBL30274371 0.82 CXCL12 (0.80) MIFMAPTMEN1KMT2AATM
SCHEMBL5726073 0.81 MAOB (0.72) MIFMAPTMEN1KMT2AATM
SCHEMBL4735285 0.81 MAPT (0.83) MAPTMEN1KMT2AATMSMN1; SMN2
SCHEMBL6966211 0.81 MEN1 (0.68) MAPTMEN1KMT2AMAOBKDM4E
SCHEMBL6966205 0.81 MEN1 (0.68) MAPTMEN1KMT2AMAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080781-A Tetralone or benzopyranone derivatives and a method for producing them SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 2000-06-27 US claimed
EP-0902003-B1 NOVEL TETRALONE OR BENZOPYRANONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME DAIICHI SEIYAKU CO (JP) 2006-07-26 EP disclosed
US-6080781-A Tetralone or benzopyranone derivatives and a method for producing them SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 2000-06-27 US disclosed
EP-0902003-A1 NOVEL TETRALONE OR BENZOPYRANONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1999-03-17 EP disclosed