SCHEMBL6451907

SCHEMBL6451907

COc1cc(C(=O)NC2CCN(CCCOc3cccc4c3C(=O)C(=C(C)C)O4)CC2)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
MCHR1 Q99705 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPK10 P53779 1/20 0.47
SLC29A1 Q99808 2/20 0.42
HTR7 P34969 4/20 0.42
HTR1A P08908 2/20 0.41
SSTR5 P35346 1/20 0.41
SLC6A12 P48065 1/20 0.41
PLD2 O14939 1/20 0.41
PLD1 Q13393 1/20 0.41

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
SCHEMBL6463130 0.89 POLB (0.51) POLBALDH1A1HTR7HTR1A
SCHEMBL6457124 0.89 ADRA1D (0.50) POLBHTR7HTR1A
SCHEMBL6462987 0.87 HTR7 (0.47) POLBALDH1A1MAPK10HTR7HTR1A
SCHEMBL6466592 0.87 HTR7 (0.55) POLBMCHR1HTR7HTR1ASLC6A12
SCHEMBL6461236 0.86 HTR7 (0.46) POLBHTR7HTR1A
SCHEMBL6472358 0.86 DRD4 (0.56) POLBMCHR1HTR7HTR1ASLC6A12
SCHEMBL6451227 0.85 KMT2A (0.48) POLBHTR7HTR1A
SCHEMBL6458101 0.85 HTR7 (0.54) POLBMCHR1HTR7HTR1ASLC6A12
SCHEMBL6462598 0.85 HTR7 (0.54) POLBMCHR1HTR7HTR1ASLC6A12
SCHEMBL6467624 0.84 HRH2 (0.55) POLBHTR7HTR1A

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
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