SCHEMBL8634121

SCHEMBL8634121

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.48
STAT3 P40763 1/20 0.47
PIK3CD O00329 1/20 0.40
PLA2G10 O15496 1/20 0.36
PLA2G5 P39877 1/20 0.36
IDH1 O75874 3/20 0.33
MLYCD O95822 7/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL7344045 1.00 IL6ST (0.48) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL8211410 0.86 IL6ST (0.45) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL6450744 0.86 IL6ST (0.45) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL8211407 0.86 IL6ST (0.45) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL8211409 0.86 IL6ST (0.45) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL7280258 0.84 IL6ST (0.43) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL7280265 0.84 IL6ST (0.43) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL7280251 0.84 IL6ST (0.43) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL6159290 0.83 IL6ST (0.52) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL7428550 0.83 IL6ST (0.45) IL6STSTAT3PIK3CDPLA2G10PLA2G5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 US disclosed