SCHEMBL9216987

SCHEMBL9216987

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.55
HPGD P15428 1/20 0.41
STAT3 P40763 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.38
FAAH O00519 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
LIPE Q05469 1/20 0.37
IDH1 O75874 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NAAA Q02083 1/20 0.36
TSPO P30536 1/20 0.36

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
SCHEMBL7268241 1.00 IL6ST (0.55) IL6STHPGDSTAT3NPC1RAB9A
SCHEMBL9216981 1.00 IL6ST (0.55) IL6STHPGDSTAT3NPC1RAB9A
SCHEMBL7268237 1.00 IL6ST (0.55) IL6STHPGDSTAT3NPC1RAB9A
SCHEMBL9217065 0.93 TDP1 (0.49) IL6STFAAHALDH1A1TDP1
SCHEMBL9217060 0.93 TDP1 (0.49) IL6STFAAHALDH1A1TDP1
SCHEMBL9217062 0.93 TDP1 (0.49) IL6STFAAHALDH1A1TDP1
SCHEMBL7272206 0.88 IL6ST (0.48) IL6STSTAT3NPC1RAB9AKMT2A
SCHEMBL9739731 0.86 IL6ST (0.59) IL6STSTAT3IDH1NAAA
SCHEMBL9739729 0.86 IL6ST (0.59) IL6STSTAT3IDH1NAAA
SCHEMBL9225396 0.85 IL6ST (0.49) IL6STSTAT3KMT2AFAAHMEN1

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