SCHEMBL6823918

SCHEMBL6823918

CC(CCCOc1cccc2c1C(=O)C(C)(C)O2)N1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.47
HTR7 P34969 3/20 0.44
UTS2R Q9UKP6 11/20 0.43
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR1A P08908 2/20 0.38
ACHE P22303 1/20 0.38
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
SCHEMBL6826209 0.90 PTK2 (0.46) PTK2HTR7UTS2RMEN1ALDH1A1
SCHEMBL6820571 0.88 PTK2 (0.49) PTK2HTR7UTS2RHTR1A
SCHEMBL6824127 0.84 HTR7 (0.45) PTK2HTR7UTS2RHTR1AACHE
SCHEMBL6823920 0.83 PTK2 (0.45) PTK2HTR7UTS2RMEN1KMT2A
SCHEMBL6826210 0.80 PTK2 (0.44) PTK2HTR7UTS2RHTR1A
SCHEMBL6824418 0.74 HTR7 (0.40) PTK2HTR7UTS2RMEN1KMT2A
SCHEMBL6824544 0.72 HTR7 (0.40) PTK2HTR7UTS2RMEN1KMT2A
SCHEMBL6381981 0.72 HTR7 (0.49) HTR7UTS2RHTR1A
SCHEMBL6823956 0.72 HTR7 (0.47) HTR7UTS2RMEN1KMT2AHTR1A
SCHEMBL6820544 0.71 UTS2R (0.38) PTK2HTR7UTS2RMEN1KMT2A

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