SCHEMBL6824342

SCHEMBL6824342

CC(C)=C1Oc2cccc(OCCC(=O)NN3CCC(NC(=O)c4ccc(Cl)c(Cl)c4)CC3)c2C1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.43
UTS2R Q9UKP6 9/20 0.42
SSTR5 P35346 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTR1A P08908 1/20 0.39
ATF4 P18848 2/20 0.38
ACHE P22303 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MCHR1 Q99705 1/20 0.37
SLC2A1 P11166 1/20 0.37

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
SCHEMBL6820561 0.89 UTS2R (0.45) HTR7UTS2RSSTR5KCNH2HTR1A
SCHEMBL6381981 0.88 HTR7 (0.49) HTR7UTS2RSSTR5KCNH2HTR1A
SCHEMBL7351045 0.86 HTR7 (0.47) HTR7UTS2RSSTR5KCNH2HTR1A
SCHEMBL6824127 0.86 HTR7 (0.45) HTR7UTS2RSSTR5KCNH2HTR1A
SCHEMBL6462162 0.84 MCHR1 (0.43) HTR7UTS2RSSTR5KCNH2HTR1A
SCHEMBL6462165 0.84 MCHR1 (0.43) HTR7UTS2RSSTR5KCNH2HTR1A
SCHEMBL7346919 0.83 UTS2R (0.42) HTR7UTS2RSSTR5KCNH2HTR1A
SCHEMBL7347675 0.83 UTS2R (0.49) UTS2RSSTR5KCNH2MEN1KMT2A
SCHEMBL6824089 0.82 HTR7 (0.41) HTR7UTS2RMEN1KMT2A
SCHEMBL6823392 0.82 HTR7 (0.49) HTR7UTS2RHTR1AACHE

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