SCHEMBL4987145

SCHEMBL4987145

C[n+]1c2ccccc2c(C(=O)O)c2c(-c3ccc(CCC(=O)ON4C(=O)CCC4=O)cc3)cccc21.O=S([O-])F

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.37
PSMB5 P28074 1/20 0.37
HCAR2 Q8TDS4 1/20 0.31
FFAR1 O14842 4/20 0.30
FFAR4 Q5NUL3 4/20 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
SCHEMBL374355 0.92 PSMB8 (0.37) PSMB8PSMB5HCAR2FFAR1FFAR4
SCHEMBL3521342 0.92 PSMB8 (0.37) PSMB8PSMB5HCAR2FFAR1FFAR4
Trifluoromethanesulfonic Acid SCHEMBL15049846 0.90 PSMB8 (0.36) PSMB8PSMB5HCAR2FFAR1FFAR4
SCHEMBL6842917 0.88 PSMB8 (0.38) PSMB8PSMB5FFAR1FFAR4
SCHEMBL5446013 0.87 PSMB8 (0.36) PSMB8PSMB5
SCHEMBL3415993 0.84 PSMB8 (0.36) PSMB8PSMB5HCAR2FFAR1
SCHEMBL5182384 0.79 PSMB8 (0.40) PSMB8PSMB5HCAR2
SCHEMBL3893859 0.78
SCHEMBL3075378 0.77 PSMB8 (0.38) PSMB8PSMB5
SCHEMBL9509305 0.76 PPARA (0.35)

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-7381811-B2 Compositions and methods for detecting Trichomonas vaginalis in a sample GEN-PROBE INCORPORATED (US) 2008-06-03 US disclosed