SCHEMBL22448929

SCHEMBL22448929

CC(C)(C)c1ccc(C(=O)NC(Cc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 2/20 0.51
▸ S1PR1 P21453 2/20 0.51
▸ S1PR5 Q9H228 2/20 0.51
▸ S1PR3 Q99500 1/20 0.51
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ PPARG P37231 1/20 0.48
▸ PPARD Q03181 1/20 0.48
▸ PPARA Q07869 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ TPH1 P17752 6/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL15037369 1.00 S1PR4 (0.51) S1PR4S1PR1S1PR5S1PR3CA1
SCHEMBL15037155 0.96 S1PR4 (0.54) S1PR4S1PR1S1PR5S1PR3PPARG
SCHEMBL22449247 0.96 S1PR4 (0.54) S1PR4S1PR1S1PR5S1PR3PPARG
SCHEMBL15037252 0.93 S1PR4 (0.52) S1PR4S1PR1S1PR5S1PR3PPARG
SCHEMBL22449192 0.92 MAPT (0.55) S1PR4S1PR1S1PR5S1PR3PPARG
SCHEMBL15037253 0.92 MAPT (0.55) S1PR4S1PR1S1PR5S1PR3PPARG
SCHEMBL15037370 0.92 S1PR4 (0.51) S1PR4S1PR1S1PR5S1PR3PPARG
SCHEMBL22449035 0.91 MAPT (0.54) S1PR4S1PR1S1PR5S1PR3PPARG
SCHEMBL15037049 0.91 CA2 (0.52) S1PR4S1PR1S1PR5S1PR3CA2
SCHEMBL15037047 0.91 S1PR4 (0.50) S1PR4S1PR1S1PR5S1PR3PPARG

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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