SCHEMBL7428550

SCHEMBL7428550

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.45
STAT3 P40763 1/20 0.44
USP2 O75604 3/20 0.36
PIK3CD O00329 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PLA2G10 O15496 1/20 0.32
PLA2G5 P39877 1/20 0.32
FAAH O00519 1/20 0.30

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
SCHEMBL27586681 1.00 IL6ST (0.45) IL6STSTAT3USP2PIK3CDL3MBTL1
SCHEMBL7585942 0.91 IL6ST (0.38) IL6STSTAT3USP2L3MBTL1
SCHEMBL7995799 0.86 USP2 (0.37) IL6STSTAT3USP2L3MBTL1
SCHEMBL6450744 0.86 IL6ST (0.45) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL8211410 0.86 IL6ST (0.45) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL8211407 0.86 IL6ST (0.45) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL8211409 0.86 IL6ST (0.45) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL6432729 0.84 IL6ST (0.50) IL6STSTAT3PIK3CD
SCHEMBL7280265 0.84 IL6ST (0.43) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL7280258 0.84 IL6ST (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133484-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca AB (SE) 2001-09-19 EP disclosed
WO-2000005223-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA AB (SE) 2000-02-03 WO disclosed