SCHEMBL6965070

SCHEMBL6965070

COc1cc(Cc2ccc(OCc3ccccc3)cc2-c2ccc(OCCN3CCCC3)cc2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.53
HTT P42858 2/20 0.52
F2 P00734 1/20 0.51
MCHR1 Q99705 4/20 0.49
KCNH2 Q12809 4/20 0.48
HRH3 Q9Y5N1 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL7443697 0.87 LTA4H (0.54) LTA4HHTTF2MCHR1KCNH2
SCHEMBL6968891 0.84 MCHR1 (0.48) LTA4HHTTF2MCHR1KCNH2
SCHEMBL7447052 0.84 CD274 (0.55) F2HRH3KDM4EALDH1A1
SCHEMBL7353107 0.83 HRH3 (0.48) LTA4HF2KCNH2HRH3
SCHEMBL6963431 0.83 MAPT (0.41) LTA4HF2KDM4ENPSR1
SCHEMBL7452057 0.82 HRH3 (0.54) LTA4HF2HRH3KDM4EALDH1A1
SCHEMBL7355874 0.81 CD274 (0.54) LTA4HF2HRH3NPC1RAB9A
SCHEMBL7412678 0.81 F2 (0.70) F2
SCHEMBL7446154 0.81 F2 (0.70) LTA4HF2
SCHEMBL7349015 0.80 CD274 (0.47) HTTF2HRH3NPC1RAB9A

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-0980367-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-03-19 EP disclosed
EP-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed