SCHEMBL22384297

SCHEMBL22384297

CCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)cc4)C(=O)N[C@H](C)CO)cc3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.47
▸ PLG P00747 1/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ KLKB1 P03952 1/20 0.43
▸ ITGB1 P05556 2/20 0.42
▸ ITGA4 P13612 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ITGB3 P05106 2/20 0.41
▸ ITGA2B P08514 2/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ RARB P10826 3/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ CBX4 O00257 2/20 0.39
▸ CBX7 O95931 2/20 0.39
▸ CDYL2 Q8N8U2 2/20 0.39
▸ CBX8 Q9HC52 2/20 0.39
▸ GCGR P47871 1/20 0.38

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
SCHEMBL16305675 0.92 PPARG (0.47) PPARGPLGPPARAKLKB1ITGB1
SCHEMBL19544766 0.91 PPARG (0.47) PPARGPLGPPARAKLKB1ITGB1
SCHEMBL16305983 0.91 PPARG (0.47) PPARGPLGPPARAKLKB1ITGB1
SCHEMBL16306129 0.91 PPARG (0.47) PPARGPLGPPARAKLKB1ITGB1
SCHEMBL16295654 0.91 PPARG (0.50) PPARGPLGPPARAKLKB1ITGB1
SCHEMBL16305364 0.91 PPARG (0.50) PPARGPLGPPARAKLKB1ITGB1
SCHEMBL16295701 0.91 PPARG (0.50) PPARGPLGPPARAKLKB1ITGB1
SCHEMBL22756212 0.91 PLG (0.48) PPARGPLGPPARAKLKB1ITGB1
SCHEMBL16306232 0.91 PPARG (0.50) PPARGPLGPPARAKLKB1ITGB1
SCHEMBL19544654 0.91 PLG (0.48) PPARGPLGPPARAKLKB1ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
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