SCHEMBL7428524

SCHEMBL7428524

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.50
STAT3 P40763 1/20 0.49
FAAH O00519 13/20 0.48
PIK3CD O00329 1/20 0.44
MGLL Q99685 4/20 0.43
NAAA Q02083 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
SCHEMBL2882140 1.00 IL6ST (0.50) IL6STSTAT3FAAHPIK3CDMGLL
SCHEMBL2882143 1.00 IL6ST (0.50) IL6STSTAT3FAAHPIK3CDMGLL
SCHEMBL5520510 0.92 IL6ST (0.51) IL6STSTAT3FAAHPIK3CDMGLL
SCHEMBL8030490 0.91 IL6ST (0.52) IL6STSTAT3FAAHPIK3CDMGLL
SCHEMBL8030492 0.91 IL6ST (0.52) IL6STSTAT3FAAHPIK3CDMGLL
SCHEMBL8500845 0.84 IL6ST (0.56) IL6STSTAT3PIK3CDNAAA
SCHEMBL8500848 0.84 IL6ST (0.56) IL6STSTAT3PIK3CDNAAA
SCHEMBL12202967 0.83 IL6ST (0.51) IL6STSTAT3FAAHPIK3CDMGLL
SCHEMBL8220702 0.82 PIK3CD (0.50) IL6STSTAT3FAAHPIK3CDNAAA
SCHEMBL6450650 0.82 PIK3CD (0.50) IL6STSTAT3FAAHPIK3CDNAAA

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