SCHEMBL8128012

SCHEMBL8128012

Cc1cc(Cc2[c]cc(O)cc2OCCN2CCCC2)ccc1CN1CCC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
F2 P00734 1/20 0.38
CD274 Q9NZQ7 8/20 0.36
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 4/20 0.36
PDCD1 Q15116 1/20 0.36
AVPR2 P30518 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 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
SCHEMBL8127544 0.90 POLB (0.43) CD274KDM4EPDCD1NPSR1POLB
SCHEMBL8123365 0.83 MEN1 (0.45) MEN1KMT2ACD274KDM4EALDH1A1
SCHEMBL6960955 0.77 F2 (0.42) MEN1KMT2AF2CD274KDM4E
SCHEMBL7820796 0.77 HPGD (0.44) MEN1KMT2AF2CD274KDM4E
SCHEMBL6598179 0.76 F2 (0.72) MEN1KMT2AF2ALDH1A1LMNA
SCHEMBL6598173 0.76 F2 (0.72) MEN1KMT2AF2ALDH1A1LMNA
SCHEMBL7831868 0.74 F2 (0.41) MEN1KMT2AF2KDM4EALDH1A1
SCHEMBL7348255 0.72 KDM4E (0.41) MEN1KMT2AF2KDM4EALDH1A1
SCHEMBL6598137 0.72 F2 (0.61) F2POLB
SCHEMBL6598135 0.72 F2 (0.61) F2POLB

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-0980366-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2000-05-17 EP disclosed
EP-0980366-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-1998049160-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed