SCHEMBL6960955

SCHEMBL6960955

Cc1cc(Cc2[c]cc(O)cc2OCCN2CCCC2)ccc1CN1CCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 4/20 0.37
LTA4H P09960 3/20 0.36
CD274 Q9NZQ7 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL7831868 0.82 F2 (0.41) F2KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL8128012 0.77 MEN1 (0.39) F2KMT2AMEN1KDM4EALDH1A1
SCHEMBL6967074 0.77 F2 (0.56) F2ESR1ESR2HRH3
SCHEMBL7820796 0.77 HPGD (0.44) F2KMT2AMEN1KDM4EALDH1A1
SCHEMBL7445212 0.77 F2 (0.46) F2KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL8123365 0.77 MEN1 (0.45) KMT2AMEN1TDP1KDM4EALDH1A1
SCHEMBL7347611 0.75 LTA4H (0.42) F2KMT2AMEN1ESR1ESR2
SCHEMBL7348255 0.75 KDM4E (0.41) F2KMT2AMEN1TDP1KDM4E
SCHEMBL7441910 0.74 F2 (0.49) F2ESR1LTA4HTSHRHTT
SCHEMBL7819938 0.73 F2 (0.37) F2KDM4EMAPK1HRH3

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