SCHEMBL7438121

SCHEMBL7438121

C=CC[C@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.59
STAT3 P40763 1/20 0.45
NAAA Q02083 1/20 0.41
IDH1 O75874 9/20 0.39
MMP2 P08253 3/20 0.35
MMP3 P08254 3/20 0.35
MMP7 P09237 2/20 0.35
PIK3CD O00329 1/20 0.35
PPARA Q07869 1/20 0.35
MMP1 P03956 2/20 0.35
MMP8 P22894 1/20 0.35
ADAM17 P78536 1/20 0.35

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
SCHEMBL7321930 1.00 IL6ST (0.59) IL6STSTAT3NAAAIDH1MMP2
SCHEMBL7321939 1.00 IL6ST (0.59) IL6STSTAT3NAAAIDH1MMP2
SCHEMBL2887707 0.87 IL6ST (0.54) IL6STSTAT3NAAAIDH1
SCHEMBL2887710 0.87 IL6ST (0.54) IL6STSTAT3NAAAIDH1
SCHEMBL9739729 0.85 IL6ST (0.59) IL6STSTAT3NAAAIDH1MMP2
SCHEMBL9739731 0.85 IL6ST (0.59) IL6STSTAT3NAAAIDH1MMP2
SCHEMBL17497683 0.83 PPARA (0.44) IL6STNAAAIDH1PPARA
SCHEMBL9007609 0.83 PPARA (0.44) IL6STNAAAIDH1PPARA
SCHEMBL19899198 0.83 PPARA (0.44) IL6STNAAAIDH1PPARA
SCHEMBL19899230 0.83 PPARA (0.44) IL6STNAAAIDH1PPARA

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
US-5364844-A Hypotensive agents SANKYO COMPANY, LIMITED (JP) 1994-11-15 US disclosed
EP-0326364-A2 Renin inhibitory oligopeptides, their preparation and use Sankyo Company Limited (JP) 1989-08-02 EP disclosed