SCHEMBL22384275

SCHEMBL22384275

CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(=O)N[C@@H](Cc4cccnc4)C(O)O)cc3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.47
▸ KLKB1 P03952 5/20 0.41
▸ ITGB1 P05556 3/20 0.38
▸ ITGA4 P13612 3/20 0.38
▸ GPR132 Q9UNW8 1/20 0.38
▸ NFKB1 P19838 2/20 0.37
▸ NFKB2 Q00653 2/20 0.37
▸ RELA Q04206 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ LPAR1 Q92633 2/20 0.36
▸ LPAR3 Q9UBY5 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL16306123 0.92 PLG (0.48) PLGKLKB1ITGB1ITGA4GPR132
SCHEMBL22384162 0.90 ITGB1 (0.39) PLGKLKB1ITGB1ITGA4ITGB3
SCHEMBL22756228 0.90 ITGB3 (0.40) PLGKLKB1ITGB1ITGA4ITGB3
SCHEMBL19807126 0.89 ITGB1 (0.40) PLGKLKB1ITGB1ITGA4ITGB3
SCHEMBL19544621 0.89 ITGB3 (0.41) PLGKLKB1ITGB1ITGA4ITGB3
SCHEMBL20900635 0.88 PLG (0.41) PLGKLKB1ITGB1ITGA4ITGB3
SCHEMBL19807138 0.88 PLG (0.37) PLGKLKB1ITGB1ITGA4ITGB3
SCHEMBL22384107 0.88 RARB (0.39) ITGB1ITGA4NPC1ITGB3ITGA2B
SCHEMBL22756166 0.88 ITGB1 (0.38) PLGKLKB1ITGB1ITGA4ITGB3
SCHEMBL22756182 0.87 ITGB3 (0.40) PLGKLKB1ITGB1ITGA4ITGB3

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
EP-3008056-B1 NOVEL GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-12-09 — — EP disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
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