SCHEMBL22449192

SCHEMBL22449192

Cc1ccc(-c2nc(-c3ccc(CC(NC(=O)c4ccc(C(C)(C)C)cc4)C(=O)O)cc3)no2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.55
▸ S1PR4 O95977 2/20 0.51
▸ S1PR1 P21453 2/20 0.51
▸ S1PR5 Q9H228 2/20 0.51
▸ S1PR3 Q99500 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ TPH1 P17752 4/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 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
SCHEMBL15037253 1.00 MAPT (0.55) MAPTS1PR4S1PR1S1PR5S1PR3
SCHEMBL22449035 0.99 MAPT (0.54) MAPTS1PR4S1PR1S1PR5S1PR3
SCHEMBL15037251 0.99 MAPT (0.54) MAPTS1PR4S1PR1S1PR5S1PR3
SCHEMBL22449247 0.96 S1PR4 (0.54) MAPTS1PR4S1PR1S1PR5S1PR3
SCHEMBL15037155 0.96 S1PR4 (0.54) MAPTS1PR4S1PR1S1PR5S1PR3
SCHEMBL15037252 0.93 S1PR4 (0.52) MAPTS1PR4S1PR1S1PR5S1PR3
SCHEMBL15037108 0.92 MAPT (0.48) MAPTS1PR4S1PR1S1PR5S1PR3
SCHEMBL22448929 0.92 S1PR4 (0.51) MAPTS1PR4S1PR1S1PR5S1PR3
SCHEMBL15037369 0.92 S1PR4 (0.51) MAPTS1PR4S1PR1S1PR5S1PR3
SCHEMBL15037370 0.92 S1PR4 (0.51) MAPTS1PR4S1PR1S1PR5S1PR3

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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