SCHEMBL7447052

SCHEMBL7447052

COc1cc(Cc2ccc(OCc3ccccc3)cc2-c2ccc(O)cc2)ccc1CN1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.55
F2 P00734 7/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 4/20 0.47
MGAM O43451 3/20 0.47
SI P14410 3/20 0.47
MGAM2 Q2M2H8 3/20 0.47
HRH3 Q9Y5N1 3/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7355874 0.92 CD274 (0.54) CD274F2MEN1KMT2AGAA
SCHEMBL7452057 0.91 HRH3 (0.54) CD274F2MEN1KMT2AHRH3
SCHEMBL7348647 0.90 F2 (0.53) CD274F2MEN1KMT2AHRH3
SCHEMBL7442536 0.89 CD274 (0.49) CD274F2MEN1KMT2AGAA
SCHEMBL7352515 0.89 S1PR1 (0.53) CD274F2HRH3
SCHEMBL7349015 0.87 CD274 (0.47) CD274F2MEN1KMT2AHRH3
SCHEMBL7447289 0.84 F2 (0.51) CD274F2MEN1KMT2A
SCHEMBL6965070 0.84 LTA4H (0.53) F2HRH3KDM4EALDH1A1
SCHEMBL7346685 0.84 F2 (0.62) CD274F2
SCHEMBL6172092 0.83 F2 (0.73) CD274F2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027051-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-03-07 EP disclosed
EP-1027051-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-08-16 EP disclosed
US-6025382-A Antithrombotic diamines ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
WO-1998048804-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed