SCHEMBL6823920

SCHEMBL6823920

CC(CCCN1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1)Oc1cccc2c1C(=O)C(C)(C)O2

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.45
UTS2R Q9UKP6 15/20 0.42
HTR7 P34969 2/20 0.42
HTR1A P08908 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6826210 0.91 PTK2 (0.44) PTK2UTS2RHTR7HTR1A
SCHEMBL6826209 0.89 PTK2 (0.46) PTK2UTS2RHTR7HTR1AMEN1
SCHEMBL6820571 0.89 PTK2 (0.49) PTK2UTS2RHTR7HTR1A
SCHEMBL6824129 0.85 HTR7 (0.43) UTS2RHTR7HTR1AMEN1KMT2A
SCHEMBL6823918 0.83 PTK2 (0.47) PTK2UTS2RHTR7HTR1AMEN1
SCHEMBL6824422 0.76 HTR7 (0.42) UTS2RHTR7HTR1A
SCHEMBL6820547 0.74 UTS2R (0.41) UTS2RHTR7HTR1A
SCHEMBL6824418 0.73 HTR7 (0.40) PTK2UTS2RHTR7MEN1KMT2A
SCHEMBL6823956 0.73 HTR7 (0.47) UTS2RHTR7HTR1AMEN1KMT2A
SCHEMBL6381981 0.73 HTR7 (0.49) UTS2RHTR7HTR1A

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