SCHEMBL6458570

SCHEMBL6458570

CC(C)=C1Oc2cccc(OCCCN3CCC(NC(=O)COc4ccccc4)CC3)c2C1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
USP2 O75604 1/20 0.43
ADIPOR2 Q86V24 1/20 0.43
ADIPOR1 Q96A54 1/20 0.43
CHRM1 P11229 4/20 0.42
LTA4H P09960 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42
MCHR1 Q99705 5/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
DRD2 P14416 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
ADRA1B P35368 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL6462625 0.90 SIGMAR1 (0.52) CHRM1MCHR1CHRM2CHRM4CHRM5
SCHEMBL6457124 0.87 ADRA1D (0.50) POLBDRD2HTR2AADRA1AHRH1
SCHEMBL6426288 0.85 CNR2 (0.48) CHRM1DRD2HTR2A
SCHEMBL6472358 0.83 DRD4 (0.56) POLBMCHR1DRD2
SCHEMBL6463130 0.83 POLB (0.51) POLBHTR2AHRH1
SCHEMBL6466592 0.83 HTR7 (0.55) POLBMCHR1DRD2HTR2AADRA1A
SCHEMBL6462987 0.83 HTR7 (0.47) POLBADRA1AHRH1ADRA1B
SCHEMBL6465555 0.82 SIGMAR1 (0.51) ADRA1AADRA1B
SCHEMBL6461236 0.82 HTR7 (0.46) POLBCHRM1ADRA1AHRH1ADRA1B
SCHEMBL6465657 0.82 HTR7 (0.57) POLBDRD2ADRA1AADRA1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1012147-B1 O-SUBSTITUTED HYDROXYCUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC AGENTS HOFFMANN LA ROCHE (CH) 2005-11-02 EP disclosed
US-6200989-B1 ADMINISTERING AS UROKINASE PLASMINOGEN ACTIVATOR ANTAGONISTS, ANTITUMOR AND ANTIMETASTASIS AGENTS HOFFMANN-LA ROCHE INC. 2001-03-13 US disclosed
EP-1012147-A2 O-SUBSTITUTED HYDROXYCUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-28 EP disclosed
WO-1999006387-A2 O-SUBSTITUTED HYDROXYCUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1999-02-11 WO disclosed