SCHEMBL20099031

SCHEMBL20099031

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

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.64
STAT3 P40763 1/20 0.46
NAAA Q02083 1/20 0.44
IDH1 O75874 11/20 0.43
PIK3CD O00329 1/20 0.40
HSD17B10 Q99714 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL17418485 1.00 IL6ST (0.64) IL6STSTAT3NAAAIDH1PIK3CD
SCHEMBL17418481 1.00 IL6ST (0.64) IL6STSTAT3NAAAIDH1PIK3CD
SCHEMBL9556794 0.91 IL6ST (0.60) IL6STSTAT3NAAAIDH1
SCHEMBL9557166 0.91 IL6ST (0.60) IL6STSTAT3NAAAIDH1
SCHEMBL9556952 0.91 IL6ST (0.60) IL6STSTAT3NAAAIDH1
SCHEMBL9556716 0.91 IL6ST (0.60) IL6STSTAT3NAAAIDH1
SCHEMBL7787910 0.90 IL6ST (0.64) IL6STSTAT3NAAAIDH1PIK3CD
SCHEMBL8812238 0.90 IL6ST (0.64) IL6STSTAT3NAAAIDH1PIK3CD
SCHEMBL8812243 0.90 IL6ST (0.64) IL6STSTAT3NAAAIDH1PIK3CD
Hydrochloric Acid SCHEMBL9557175 0.89 IL6ST (0.58) IL6STSTAT3NAAAIDH1PIK3CD

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-9955691-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2018-05-01 US disclosed