SCHEMBL22384445

SCHEMBL22384445

CCCCCCCOc1ccc(-c2cnc(-c3ccc(CC(NC(=O)c4ccc(CC(C)C)cc4)C(=O)N4CC(C(=O)O)C4)cc3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 9/20 0.47
▸ S1PR1 P21453 6/20 0.47
▸ S1PR3 Q99500 4/20 0.47
▸ PPARG P37231 3/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ ITGB1 P05556 2/20 0.42
▸ ITGA4 P13612 2/20 0.42
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ P2RY12 Q9H244 1/20 0.41
▸ RARB P10826 3/20 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
SCHEMBL17834752 1.00 S1PR5 (0.47) S1PR5S1PR1S1PR3PPARGPPARA
SCHEMBL17834601 0.95 S1PR5 (0.48) S1PR5S1PR1S1PR3PPARGPPARA
SCHEMBL17834718 0.95 S1PR5 (0.47) S1PR5S1PR1S1PR3PPARGPPARA
SCHEMBL17995157 0.95 S1PR5 (0.47) S1PR5S1PR1S1PR3PPARGPPARA
SCHEMBL16305728 0.94 S1PR5 (0.47) S1PR5S1PR1S1PR3PPARGPPARA
SCHEMBL17834464 0.94 S1PR5 (0.45) S1PR5S1PR1S1PR3PPARGPPARA
SCHEMBL17834443 0.94 S1PR5 (0.47) S1PR5S1PR1S1PR3PPARGPPARA
SCHEMBL17834715 0.94 S1PR5 (0.47) S1PR5S1PR1S1PR3PPARGPPARA
SCHEMBL17834748 0.94 S1PR5 (0.47) S1PR5S1PR1S1PR3PPARGPPARA
SCHEMBL17834825 0.94 S1PR1 (0.42) S1PR5S1PR1S1PR3PPARGPPARA

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