SCHEMBL8309264

SCHEMBL8309264

C#CCOc1cc(-c2oc3ccccc3c(=O)c2OCC#C)ccc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.67
KDM4E B2RXH2 7/20 0.58
ALDH1A1 P00352 5/20 0.58
MAPT P10636 4/20 0.58
HSD17B10 Q99714 4/20 0.58
CYP3A4 P08684 3/20 0.58
HPGD P15428 3/20 0.58
KMT2A Q03164 3/20 0.58
TP53 P04637 2/20 0.58
MEN1 O00255 2/20 0.58
LMNA P02545 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
ABCB1 P08183 3/20 0.52
ABCC1 P33527 1/20 0.49
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL27194869 0.81 KDM4E (0.65) ABCG2KDM4EALDH1A1MAPTHSD17B10
SCHEMBL1421461 0.80 ABCG2 (0.87) ABCG2KDM4EALDH1A1MAPTHSD17B10
SCHEMBL4167435 0.76 ABCG2 (0.70) ABCG2KDM4EALDH1A1MAPTHSD17B10
SCHEMBL16160553 0.75 MAPT (0.63) ABCG2KDM4EALDH1A1MAPTHSD17B10
3-Hydroxy-3',4'-Dimethoxyflavone SCHEMBL4285872 0.74 KDM4E (1.00) ABCG2KDM4EALDH1A1MAPTHSD17B10
3-Hydroxy-3',4'-Dimethoxyflavone SCHEMBL30139617 0.74 KDM4E (1.00) ABCG2KDM4EALDH1A1MAPTHSD17B10
3-Hydroxy-3',4'-Dimethoxyflavone SCHEMBL15676607 0.74 KDM4E (1.00) ABCG2KDM4EALDH1A1MAPTHSD17B10
SCHEMBL16150328 0.74 TP53 (0.58) ABCG2KDM4EALDH1A1MAPTHSD17B10
SCHEMBL31031141 0.73 ABCG2 (0.60) ABCG2KDM4EALDH1A1MAPTHSD17B10
SCHEMBL15690698 0.72 ACE2 (0.64) ABCG2ABCB1ABCC1

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
EP-0709383-B1 Diosmetin derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-12-15 EP disclosed
EP-0709383-A1 Diosmetin derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-05-01 EP disclosed