SCHEMBL15037414

SCHEMBL15037414

CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)cc4)C(=O)NCC(N)=O)cc3)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 3/20 0.51
▸ KLKB1 P03952 3/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PPARG P37231 3/20 0.44
▸ PPARA Q07869 1/20 0.43
▸ ITGB3 P05106 2/20 0.43
▸ ITGA2B P08514 2/20 0.43
▸ ITGB1 P05556 2/20 0.41
▸ ITGA4 P13612 2/20 0.41
▸ PRSS1 P07477 2/20 0.41
▸ PRSS2 P07478 2/20 0.41
▸ PRSS3 P35030 2/20 0.41
▸ RARB P10826 3/20 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
SCHEMBL15019649 0.93 PLG (0.49) PLGKLKB1L3MBTL1PPARGPPARA
SCHEMBL15037417 0.93 PLG (0.49) PLGKLKB1L3MBTL1PPARGPPARA
SCHEMBL15037348 0.93 PLG (0.49) PLGKLKB1L3MBTL1PPARGPPARA
SCHEMBL15019646 0.93 PLG (0.49) PLGKLKB1L3MBTL1PPARGPPARA
SCHEMBL22384176 0.92 PLG (0.48) PLGKLKB1L3MBTL1PPARGPPARA
SCHEMBL16305936 0.91 KLKB1 (0.44) PLGKLKB1L3MBTL1PPARGPPARA
SCHEMBL15019724 0.90 PPARG (0.47) PLGKLKB1PPARGPPARAITGB3
SCHEMBL15019658 0.90 PPARG (0.47) PLGKLKB1PPARGPPARAITGB3
SCHEMBL16306210 0.90 PLG (0.47) PLGKLKB1L3MBTL1PPARGPPARA
SCHEMBL19807191 0.90 PLG (0.49) PLGKLKB1L3MBTL1PPARGPPARA

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
WO-2013090454-A2 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2013-06-20 — — WO disclosed
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