SCHEMBL8729005

SCHEMBL8729005

CC(C)(C)OC(=O)C(CN)Cc1ccc(OCO[PH](=O)OCOc2ccc(CC(CN)C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
LTA4H P09960 3/20 0.35
HDAC8 Q9BY41 1/20 0.33
YAP1 P46937 2/20 0.33
ACACB O00763 2/20 0.33
PPARA Q07869 2/20 0.32
BCL2 P10415 1/20 0.32
PPARG P37231 1/20 0.32
LAP3 P28838 1/20 0.32
PTPN1 P18031 2/20 0.32
ELANE P08246 1/20 0.31
LDHA P00338 1/20 0.31

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
SCHEMBL3700726 0.81 LDHA (0.50) PPARAPPARGLDHA
SCHEMBL8732292 0.76 ACACB (0.48) ITGB3ITGA2BHDAC8ACACB
SCHEMBL23792335 0.74 LOXL2 (0.53)
SCHEMBL8732650 0.72 SLC6A4 (0.54)
SCHEMBL1822640 0.71 P2RX7 (0.49) PPARG
SCHEMBL8732412 0.71 CA2 (0.47) ACACBPTPN1
SCHEMBL3697349 0.71 PPARG (0.44) PPARG
Thiophene SCHEMBL27291067 0.70 ITGA4 (0.43)
SCHEMBL8758138 0.68 MAOB (0.50)
SCHEMBL27514471 0.68 LTA4H (0.53) LTA4HYAP1PPARABCL2PPARG

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-5726165-A HYPOGLYCEMIC AGENTS; DIETETICS; GASTROINTESTINAL DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 1998-03-10 US disclosed