SCHEMBL22449060

SCHEMBL22449060

CCCOc1ccc(-c2nc(-c3ccc(CC(NC(=O)c4ccc(C(C)(C)C)cc4)C(=O)O)cc3)no2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.51
▸ PPARA Q07869 6/20 0.51
▸ PPARD Q03181 2/20 0.51
▸ S1PR1 P21453 3/20 0.49
▸ S1PR3 Q99500 2/20 0.49
▸ TPH1 P17752 2/20 0.48
▸ ITGB1 P05556 3/20 0.47
▸ ITGB3 P05106 2/20 0.47
▸ ITGAV P06756 1/20 0.47
▸ ITGA5 P08648 1/20 0.47
▸ ITGA4 P13612 2/20 0.47
▸ ITGA2B P08514 1/20 0.46
▸ S1PR4 O95977 2/20 0.46
▸ S1PR5 Q9H228 2/20 0.46
▸ ACACB O00763 1/20 0.46
▸ GPR132 Q9UNW8 1/20 0.43

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
SCHEMBL15037257 1.00 PPARG (0.51) PPARGPPARAPPARDS1PR1S1PR3
SCHEMBL15019772 0.94 ITGB1 (0.53) PPARGPPARAPPARDS1PR1S1PR3
SCHEMBL15037102 0.94 ITGB1 (0.53) PPARGPPARAPPARDS1PR1S1PR3
SCHEMBL15037029 0.94 ITGB1 (0.53) PPARGPPARAPPARDS1PR1S1PR3
SCHEMBL15091874 0.94 ITGB1 (0.53) PPARGPPARAPPARDS1PR1S1PR3
SCHEMBL15037155 0.90 S1PR4 (0.54) PPARGPPARAPPARDS1PR1S1PR3
SCHEMBL22449247 0.90 S1PR4 (0.54) PPARGPPARAPPARDS1PR1S1PR3
SCHEMBL15037260 0.89 GPR132 (0.55) PPARGPPARAPPARDGPR132
SCHEMBL15037113 0.89 TPH1 (0.51) PPARGPPARAPPARDS1PR1S1PR3
SCHEMBL15037262 0.89 TPH1 (0.61) PPARGPPARAPPARDS1PR1S1PR3

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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