SCHEMBL22448995

SCHEMBL22448995

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.48
▸ PPARA Q07869 1/20 0.48
▸ PLG P00747 1/20 0.46
▸ ITGB1 P05556 3/20 0.46
▸ ITGA4 P13612 3/20 0.46
▸ ITGB3 P05106 3/20 0.46
▸ ITGA2B P08514 3/20 0.46
▸ RARB P10826 3/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GCGR P47871 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ ACACB O00763 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
SCHEMBL15019724 0.95 PPARG (0.47) PPARGPPARAPLGITGB1ITGA4
SCHEMBL15019658 0.95 PPARG (0.47) PPARGPPARAPLGITGB1ITGA4
SCHEMBL15019519 0.94 ITGB3 (0.54) PPARGPPARAPLGITGB1ITGA4
SCHEMBL15037061 0.94 ITGB3 (0.54) PPARGPPARAPLGITGB1ITGA4
SCHEMBL15037069 0.94 ITGB3 (0.54) PPARGPPARAPLGITGB1ITGA4
SCHEMBL15092133 0.94 ITGB3 (0.54) PPARGPPARAPLGITGB1ITGA4
SCHEMBL15019521 0.94 ITGB3 (0.54) PPARGPPARAPLGITGB1ITGA4
SCHEMBL22449180 0.94 ITGB3 (0.54) PPARGPPARAPLGITGB1ITGA4
SCHEMBL15037062 0.94 ITGB3 (0.54) PPARGPPARAPLGITGB1ITGA4
SCHEMBL15037204 0.93 ITGB1 (0.55) PPARGPPARAPLGITGB1ITGA4

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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