SCHEMBL22449327

SCHEMBL22449327

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ ITGB3 P05106 5/20 0.47
▸ ITGA2B P08514 5/20 0.47
▸ KLKB1 P03952 3/20 0.46
▸ ITGB1 P05556 3/20 0.45
▸ ITGA4 P13612 3/20 0.45
▸ LMNA P02545 1/20 0.44
▸ PLG P00747 1/20 0.44
▸ KLK1 P06870 1/20 0.40
▸ RARB P10826 3/20 0.40
▸ SUCNR1 Q9BXA5 1/20 0.40

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
SCHEMBL15037355 1.00 PPARG (0.47) PPARGPPARAITGB3ITGA2BKLKB1
SCHEMBL22449153 0.94 PPARG (0.49) PPARGPPARAITGB3ITGA2BKLKB1
SCHEMBL15037352 0.94 PPARG (0.49) PPARGPPARAITGB3ITGA2BKLKB1
SCHEMBL15037341 0.92 PPARG (0.49) PPARGPPARAITGB3ITGA2BKLKB1
SCHEMBL22449059 0.92 PPARG (0.49) PPARGPPARAITGB3ITGA2BKLKB1
SCHEMBL15037347 0.92 PPARG (0.49) PPARGPPARAITGB3ITGA2BKLKB1
SCHEMBL15037075 0.91 ITGB3 (0.47) PPARGPPARAITGB3ITGA2BKLKB1
SCHEMBL22449136 0.91 PPARG (0.49) PPARGPPARAITGB3ITGA2BKLKB1
SCHEMBL15037343 0.91 PPARG (0.49) PPARGPPARAITGB3ITGA2BKLKB1
SCHEMBL15036988 0.91 PPARG (0.49) PPARGPPARAITGB3ITGA2BKLKB1

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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