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Sugi Predict / Compounds / SCHEMBL8472880

SCHEMBL8472880

SCHEMBL8472880

CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(OC(=O)CCc2cc3cc(C#N)ccc3s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 3/20 0.41
▸ F2RL3 Q96RI0 4/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ ALOX5AP P20292 2/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL8471690 0.85 GPR119 (0.34) GPR119IRAK4
SCHEMBL8472119 0.84 GPR119 (0.40) GPR119F2RL3IRAK4ALOX5APCHEK2
SCHEMBL7388469 0.83 GPR119 (0.40) GPR119F2RL3IRAK4ALOX5APCHEK2
SCHEMBL8469683 0.83 GPR119 (0.57) GPR119CHEK2HRH3
SCHEMBL7387812 0.81 GPR119 (0.41) GPR119F2RL3IRAK4ALOX5APCHEK2
SCHEMBL7387713 0.81 GPR119 (0.41) GPR119F2RL3IRAK4ALOX5APCHEK2
SCHEMBL8472255 0.81 GPR119 (0.39) GPR119
SCHEMBL4316987 0.78 GPR119 (0.51) GPR119ALOX5AP
SCHEMBL8470397 0.77 GPR119 (0.50) GPR119CHEK2
SCHEMBL8470765 0.77 KDM4E (0.44) IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962695-A ANTICOAGULANT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 — — US disclosed
US-5866577-A AN ANTICOAGULANT AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-02-02 — — US disclosed