SCHEMBL8429563

SCHEMBL8429563

Nc1ccc2c(c1)CC[C@H](CCC(F)(F)F)O2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 11/20 0.39
FFAR1 O14842 4/20 0.39
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
BACE1 P56817 1/20 0.34
CA2 P00918 2/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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
SCHEMBL8425112 1.00 FFAR4 (0.39) FFAR4FFAR1S1PR1S1PR3BACE1
SCHEMBL8425111 1.00 FFAR4 (0.39) FFAR4FFAR1S1PR1S1PR3BACE1
SCHEMBL8426672 0.81 S1PR1 (0.39) FFAR4FFAR1S1PR1S1PR3CA2
SCHEMBL8426649 0.80 CA2 (0.49) CA2
SCHEMBL8426648 0.80 CA2 (0.49) CA2
SCHEMBL8426761 0.80 CA2 (0.49) CA2
SCHEMBL8425944 0.78 PNMT (0.38) FFAR4FFAR1
SCHEMBL8424902 0.78 PNMT (0.38) FFAR4FFAR1
SCHEMBL8424903 0.78 PNMT (0.38) FFAR4FFAR1
SCHEMBL16650295 0.78 CA2 (0.38) CA2ITGB3ITGA2B

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-5925662-A OXIDASE INHIBITORS SYNTHELABO (FR) 1999-07-20 US disclosed
EP-0859776-A1 COMPOUNDS DERIVED FROM OXAZOLIDIN-2-ONE AND PREPARATION AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1998-08-26 EP disclosed
WO-1997017347-A1 COMPOUNDS DERIVED FROM OXAZOLIDIN-2-ONE AND PREPARATION AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1997-05-15 WO disclosed