SCHEMBL6824418

SCHEMBL6824418

CC(C)=C1Oc2cccc(OC(C)CCC(C)N3CCC(NC(=O)c4ccc(Cl)c(Cl)c4)CC3)c2C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.40
ACHE P22303 1/20 0.38
UTS2R Q9UKP6 11/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
PTK2 Q05397 1/20 0.35
SSTR5 P35346 1/20 0.35
KCNH2 Q12809 1/20 0.35
SLC2A1 P11166 1/20 0.35

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
SCHEMBL6824544 0.94 HTR7 (0.40) HTR7ACHEUTS2RMEN1KMT2A
SCHEMBL6824127 0.90 HTR7 (0.45) HTR7ACHEUTS2RPTK2SSTR5
SCHEMBL6824129 0.89 HTR7 (0.43) HTR7UTS2RMEN1KMT2ADRD4
SCHEMBL6820544 0.87 UTS2R (0.38) HTR7ACHEUTS2RMEN1KMT2A
SCHEMBL6826209 0.84 PTK2 (0.46) HTR7ACHEUTS2RMEN1KMT2A
SCHEMBL6824422 0.82 HTR7 (0.42) HTR7UTS2RDRD4SSTR5KCNH2
SCHEMBL6381981 0.80 HTR7 (0.49) HTR7UTS2RDRD2DRD4HTR2A
SCHEMBL6824342 0.80 HTR7 (0.43) HTR7ACHEUTS2RMEN1KMT2A
SCHEMBL6820561 0.80 UTS2R (0.45) HTR7ACHEUTS2RMEN1KMT2A
SCHEMBL6462162 0.79 MCHR1 (0.43) HTR7ACHEUTS2RMEN1KMT2A

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
WO-2004076444-A2 NOVEL HYDROXYCOUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC F. HOFFMANN-LA ROCHE AG (CH) 2004-09-10 WO claimed
WO-2004076444-A2 NOVEL HYDROXYCOUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC F. HOFFMANN-LA ROCHE AG (CH) 2004-09-10 WO disclosed