SCHEMBL9225396

SCHEMBL9225396

CC(C)C1COC(=O)N1C(=O)[C@@H](CC(=O)N(C)C1CCCCC1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.49
KMT2A Q03164 2/20 0.42
CCR5 P51681 2/20 0.41
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTA4H P09960 3/20 0.36
STAT3 P40763 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TRPV1 Q8NER1 2/20 0.35
TRPA1 O75762 1/20 0.35
MGLL Q99685 1/20 0.35
GAA P10253 1/20 0.35
FAAH O00519 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
SCHEMBL9225386 1.00 IL6ST (0.49) IL6STKMT2ACCR5ALDH1A1MEN1
SCHEMBL9225391 1.00 IL6ST (0.49) IL6STKMT2ACCR5ALDH1A1MEN1
SCHEMBL7297353 0.86 IL6ST (0.40) IL6STKMT2ACCR5ALDH1A1MEN1
SCHEMBL9216987 0.85 IL6ST (0.55) IL6STKMT2AALDH1A1MEN1STAT3
SCHEMBL9216981 0.85 IL6ST (0.55) IL6STKMT2AALDH1A1MEN1STAT3
SCHEMBL7268237 0.85 IL6ST (0.55) IL6STKMT2AALDH1A1MEN1STAT3
SCHEMBL7268241 0.85 IL6ST (0.55) IL6STKMT2AALDH1A1MEN1STAT3
SCHEMBL9739729 0.83 IL6ST (0.59) IL6STLTA4HSTAT3
SCHEMBL9739731 0.83 IL6ST (0.59) IL6STLTA4HSTAT3
SCHEMBL9217065 0.79 TDP1 (0.49) IL6STALDH1A1SMN1; SMN2FAAH

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
US-5378689-A Hypotensive agents; administrable by mouth SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed