SCHEMBL22449136

SCHEMBL22449136

CCCCCCCOc1ccc(-c2cnc(-c3ccc(CC(NC(=O)c4ccc(C(C)C)cc4)C(=O)NC(CC(C)C)C(=O)O)cc3)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.49
▸ PPARA Q07869 1/20 0.49
▸ ITGB1 P05556 3/20 0.46
▸ ITGA4 P13612 3/20 0.46
▸ ITGB3 P05106 3/20 0.46
▸ ITGA2B P08514 3/20 0.46
▸ KLKB1 P03952 1/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ PLG P00747 1/20 0.43
▸ TAOK1 Q7L7X3 1/20 0.42
▸ TAOK3 Q9H2K8 1/20 0.42
▸ DGAT1 O75907 1/20 0.42
▸ RARB P10826 3/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL15036988 1.00 PPARG (0.49) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL15037343 1.00 PPARG (0.49) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL15037347 0.93 PPARG (0.49) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL22449059 0.93 PPARG (0.49) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL15037341 0.93 PPARG (0.49) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL22449153 0.92 PPARG (0.49) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL15037352 0.92 PPARG (0.49) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL15037129 0.92 PPARG (0.55) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL15091916 0.92 PPARG (0.55) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL15036989 0.91 PPARG (0.51) PPARGPPARAITGB1ITGA4ITGB3

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-2791112-B1 CARBOXYLIC ACID DERIVATIVES COMPRISING FOUR CYCLES ACTING AS GLP-1 RECEPTOR MODULATORS FOR THERAPY OF DISEASES SUCH AS DIABETES CELGENE INT II SÀRL (CH) 2020-09-23 — — EP disclosed
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