SCHEMBL8330974

SCHEMBL8330974

CC(C)(C)OC(=O)CCC1Cc2cc(OS(=O)(=O)C(F)(F)F)ccc2O1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.48
FFAR1 O14842 4/20 0.48
DRD2 P14416 1/20 0.38
HTR1D P28221 1/20 0.38
DRD3 P35462 1/20 0.38
RORC P51449 8/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HSD11B1 P28845 1/20 0.36
SLC8A1 P32418 1/20 0.35

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
SCHEMBL7795630 0.88 FFAR4 (0.60) FFAR4FFAR1RORC
SCHEMBL8323907 0.81 TDP1 (0.53) FFAR4FFAR1RORCHRH3
SCHEMBL13802286 0.73 FFAR1 (0.56) FFAR4FFAR1RORCHRH3
SCHEMBL7795628 0.72 CXCR2 (0.39) FFAR4FFAR1DRD2HTR1DDRD3
SCHEMBL3905377 0.72 HRH3 (0.51) FFAR4FFAR1HRH3
SCHEMBL8042033 0.71 FFAR4 (0.43) FFAR4FFAR1
SCHEMBL4100172 0.71 DRD2 (0.48) DRD2HTR1DDRD3HSD11B1
SCHEMBL17834378 0.70 PPARA (0.41) FFAR1
SCHEMBL1602268 0.69 DRD2 (0.51) DRD2DRD3
SCHEMBL8042036 0.69 AR (0.46)

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
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed