SCHEMBL8812243

SCHEMBL8812243

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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.64
HSD17B10 Q99714 1/20 0.48
STAT3 P40763 1/20 0.46
PPARA Q07869 1/20 0.44
NAAA Q02083 1/20 0.44
IDH1 O75874 9/20 0.43
PIK3CD O00329 1/20 0.40
HPGD P15428 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
SCHEMBL7787910 1.00 IL6ST (0.64) IL6STHSD17B10STAT3PPARANAAA
SCHEMBL8812238 1.00 IL6ST (0.64) IL6STHSD17B10STAT3PPARANAAA
SCHEMBL17418485 0.90 IL6ST (0.64) IL6STHSD17B10STAT3NAAAIDH1
SCHEMBL20099031 0.90 IL6ST (0.64) IL6STHSD17B10STAT3NAAAIDH1
SCHEMBL17418481 0.90 IL6ST (0.64) IL6STHSD17B10STAT3NAAAIDH1
SCHEMBL20132809 0.88 IL6ST (0.50) IL6STSTAT3IDH1PIK3CD
SCHEMBL20132776 0.88 IL6ST (0.50) IL6STSTAT3IDH1PIK3CD
SCHEMBL18174256 0.88 IL6ST (0.50) IL6STSTAT3IDH1PIK3CD
SCHEMBL18174279 0.88 IL6ST (0.50) IL6STSTAT3IDH1PIK3CD
SCHEMBL18174223 0.88 IL6ST (0.50) IL6STSTAT3IDH1PIK3CD

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-5672586-A Herpes ribonucleotide reductase inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH, INC. (CA) 1997-09-30 US disclosed