SCHEMBL22449154

SCHEMBL22449154

CCCCCCCOc1ccc(-c2cnc(-c3ccc(CC(NC(=O)c4ccc(C(C)C)cc4)C(=O)NC(Cc4cnc[nH]4)C(=O)O)cc3)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ ITGB1 P05556 3/20 0.45
▸ ITGA4 P13612 3/20 0.45
▸ ITGB3 P05106 2/20 0.44
▸ ITGA2B P08514 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SLC6A5 Q9Y345 1/20 0.42
▸ KLKB1 P03952 1/20 0.42
▸ PLG P00747 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ AGTR2 P50052 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
SCHEMBL15036987 1.00 PPARG (0.45) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL15037344 1.00 PPARG (0.45) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL15037129 0.90 PPARG (0.55) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL15091916 0.90 PPARG (0.55) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL15037347 0.89 PPARG (0.49) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL22449059 0.89 PPARG (0.49) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL15037341 0.89 PPARG (0.49) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL22449136 0.88 PPARG (0.49) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL22449153 0.88 PPARG (0.49) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL15037343 0.88 PPARG (0.49) 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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