SCHEMBL6820561

SCHEMBL6820561

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 8/20 0.45
HTR7 P34969 2/20 0.43
HTR1A P08908 2/20 0.39
F10 P00742 1/20 0.39
SSTR5 P35346 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
ACHE P22303 1/20 0.37
EPHX2 P34913 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA1A P35348 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
SCHEMBL6381981 0.90 HTR7 (0.49) UTS2RHTR7HTR1ASSTR5KCNH2
SCHEMBL6824342 0.89 HTR7 (0.43) UTS2RHTR7HTR1ASSTR5KCNH2
SCHEMBL6824127 0.87 HTR7 (0.45) UTS2RHTR7HTR1AF10SSTR5
SCHEMBL6823289 0.87 ALDH1A1 (0.37) UTS2RHTR7KCNH2LMNAGLA
SCHEMBL7351045 0.86 HTR7 (0.47) UTS2RHTR7HTR1ASSTR5KCNH2
SCHEMBL6462162 0.84 MCHR1 (0.43) UTS2RHTR7HTR1ASSTR5KCNH2
SCHEMBL6824089 0.84 HTR7 (0.41) UTS2RHTR7MEN1KMT2A
SCHEMBL6462165 0.84 MCHR1 (0.43) UTS2RHTR7HTR1ASSTR5KCNH2
SCHEMBL7346919 0.83 UTS2R (0.42) UTS2RHTR7HTR1ASSTR5KCNH2
SCHEMBL6823392 0.83 HTR7 (0.49) UTS2RHTR7HTR1AACHEDRD2

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