SCHEMBL7349015

SCHEMBL7349015

COC(=O)CCCOc1ccc(-c2cc(OCc3ccccc3)ccc2Cc2ccc(CN3CCCC3)c(OC)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.47
F2 P00734 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH3 Q9Y5N1 5/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPY1R P25929 1/20 0.43
MET P08581 1/20 0.42

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
SCHEMBL7352161 0.90 F2 (0.56) CD274F2SMN1; SMN2
SCHEMBL7447052 0.87 CD274 (0.55) CD274F2MEN1KMT2AHRH3
SCHEMBL7442536 0.86 CD274 (0.49) CD274F2MEN1KMT2AHRH3
SCHEMBL7972046 0.85 F2 (0.66) F2
SCHEMBL7355874 0.84 CD274 (0.54) CD274F2MEN1KMT2AHRH3
SCHEMBL7348546 0.84 F2 (0.57) CD274F2MEN1KMT2ASMN1; SMN2
SCHEMBL7452057 0.83 HRH3 (0.54) CD274F2MEN1KMT2AHRH3
SCHEMBL7348647 0.83 F2 (0.53) CD274F2MEN1KMT2AHRH3
SCHEMBL7354252 0.81 MEN1 (0.47) CD274F2MEN1KMT2AHRH3
SCHEMBL6965070 0.80 LTA4H (0.53) F2HRH3NPC1RAB9ASMN1; SMN2

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