SCHEMBL7348255

SCHEMBL7348255

CCOC(=O)C1CCC(=O)N1Cc1ccc(Cc2[c]cc(O)cc2OCCN2CCCC2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
TSHR P16473 3/20 0.41
MAPK1 P28482 1/20 0.41
F2 P00734 2/20 0.39
ALDH1A1 P00352 6/20 0.39
GAA P10253 1/20 0.39
LTA4H P09960 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADRA1A P35348 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1B P35368 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL7347611 0.91 LTA4H (0.42) KDM4EF2ALDH1A1GAALTA4H
SCHEMBL7441910 0.78 F2 (0.49) TSHRF2LTA4H
SCHEMBL7983950 0.78 F2 (0.72) F2
SCHEMBL7983956 0.78 F2 (0.72) F2
SCHEMBL6960955 0.75 F2 (0.42) KDM4ETSHRMAPK1F2ALDH1A1
SCHEMBL7349365 0.74 F2 (0.42) F2MEN1KMT2A
SCHEMBL8128012 0.72 MEN1 (0.39) KDM4EF2ALDH1A1POLBMEN1
SCHEMBL7501980 0.72 LTA4H (0.45) F2GAALTA4HPOLBTDP1
SCHEMBL8123365 0.72 MEN1 (0.45) KDM4ETSHRALDH1A1TDP1MEN1
SCHEMBL7982379 0.70 ALDH1A1 (0.48) KDM4ETSHRMAPK1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993300-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-31 EP disclosed
EP-0993300-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-04-19 EP disclosed
WO-1998048798-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed