SCHEMBL7607437

SCHEMBL7607437

CCCCOc1ccc2oc(-c3ccc(OC)c(OC)c3)c(O)c(=O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.67
KDM4E B2RXH2 7/20 0.67
CYP3A4 P08684 6/20 0.67
CASP1 P29466 5/20 0.67
CASP7 P55210 5/20 0.67
ALDH1A1 P00352 5/20 0.67
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
ABCG2 Q9UNQ0 3/20 0.64
TP53 P04637 9/20 0.64
HSD17B10 Q99714 4/20 0.64
LMNA P02545 3/20 0.64
HPGD P15428 3/20 0.64
ABCB1 P08183 3/20 0.59
RXFP1 Q9HBX9 4/20 0.57
CSNK2A2 P19784 2/20 0.55
CSNK2B P67870 2/20 0.55
CSNK2A1 P68400 2/20 0.55
POLB P06746 1/20 0.53
ACHE P22303 1/20 0.52

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
SCHEMBL7607598 0.96 MAPT (0.67) MAPTKDM4ECYP3A4CASP1CASP7
SCHEMBL7609382 0.91 MAPT (0.70) MAPTKDM4ECYP3A4CASP1CASP7
SCHEMBL4648874 0.88 ABCG2 (0.82) MAPTKDM4ECYP3A4CASP1CASP7
SCHEMBL14708632 0.84 MAPT (0.61) MAPTKDM4ECYP3A4CASP1CASP7
SCHEMBL8424729 0.82 MAPT (0.73) MAPTKDM4ECYP3A4CASP1CASP7
SCHEMBL30667444 0.81 MAPT (1.00) MAPTKDM4ECYP3A4CASP1CASP7
SCHEMBL5138212 0.81 MAPT (1.00) MAPTKDM4ECYP3A4CASP1CASP7
SCHEMBL25235022 0.80 ABCB1 (0.79) MAPTKDM4ECYP3A4CASP1CASP7
SCHEMBL30397364 0.80 ABCB1 (0.79) MAPTKDM4ECYP3A4CASP1CASP7
SCHEMBL1422017 0.80 MAPT (0.76) MAPTKDM4ECYP3A4CASP1CASP7

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-0915864-B1 GASTROPROTECTIVE FLAVONE/FLAVANONE COMPOUNDS WITH THERAPEUTIC EFFECT ON INFLAMMATORY BOWEL DISEASE DONG A PHARM CO LTD (KR) 2002-09-04 EP disclosed