SCHEMBL19481364

SCHEMBL19481364

CCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@@H](CC(=O)O)NC(=O)c4ccc(C(C)(C)C)cc4)cc3)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.48
▸ PPARA Q07869 1/20 0.48
▸ ITGB3 P05106 4/20 0.48
▸ ITGAV P06756 3/20 0.48
▸ ITGB1 P05556 2/20 0.47
▸ ITGA5 P08648 2/20 0.47
▸ ITGB5 P18084 1/20 0.47
▸ ITGB6 P18564 1/20 0.47
▸ GCGR P47871 1/20 0.46
▸ RARB P10826 3/20 0.45
▸ MMEL1 Q495T6 2/20 0.44
▸ ITGA2B P08514 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 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
SCHEMBL15020060 1.00 PPARG (0.48) PPARGPPARAITGB3ITGAVITGB1
SCHEMBL15020061 1.00 PPARG (0.48) PPARGPPARAITGB3ITGAVITGB1
SCHEMBL16306092 0.89 PLG (0.44) PPARGPPARAITGB3ITGAVITGB1
SCHEMBL15019521 0.88 ITGB3 (0.54) PPARGPPARAITGB3ITGAVITGB1
SCHEMBL22449180 0.88 ITGB3 (0.54) PPARGPPARAITGB3ITGAVITGB1
SCHEMBL15037062 0.88 ITGB3 (0.54) PPARGPPARAITGB3ITGAVITGB1
SCHEMBL15019519 0.88 ITGB3 (0.54) PPARGPPARAITGB3ITGAVITGB1
SCHEMBL15037069 0.88 ITGB3 (0.54) PPARGPPARAITGB3ITGAVITGB1
SCHEMBL15037061 0.88 ITGB3 (0.54) PPARGPPARAITGB3ITGAVITGB1
SCHEMBL15092133 0.88 ITGB3 (0.54) PPARGPPARAITGB3ITGAVITGB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — US disclosed
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