SCHEMBL3415993

SCHEMBL3415993

O=C(CCc1ccc(-c2cccc3c2c(C(=O)O)c2ccccc2[n+]3S(=O)(=O)[O-])cc1)ON1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.36
PSMB5 P28074 1/20 0.36
PARL Q9H300 1/20 0.31
FFAR1 O14842 1/20 0.31
AKR1B1 P15121 1/20 0.31
HCAR2 Q8TDS4 3/20 0.30
PTGER1 P34995 1/20 0.30
PTGER4 P35408 1/20 0.30
PTGER3 P43115 1/20 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
SCHEMBL3521342 0.89 PSMB8 (0.37) PSMB8PSMB5PARLFFAR1HCAR2
SCHEMBL374355 0.89 PSMB8 (0.37) PSMB8PSMB5PARLFFAR1HCAR2
Trifluoromethanesulfonic Acid SCHEMBL15049846 0.86 PSMB8 (0.36) PSMB8PSMB5FFAR1HCAR2
SCHEMBL4987145 0.84 PSMB8 (0.37) PSMB8PSMB5FFAR1HCAR2
SCHEMBL6842917 0.81 PSMB8 (0.38) PSMB8PSMB5FFAR1
SCHEMBL5182384 0.80 PSMB8 (0.40) PSMB8PSMB5HCAR2
SCHEMBL5446013 0.78 PSMB8 (0.36) PSMB8PSMB5
SCHEMBL3075378 0.75 PSMB8 (0.38) PSMB8PSMB5
SCHEMBL3893859 0.75
Trifluoromethanesulfonic Acid SCHEMBL7644634 0.73 PSMB8 (0.37) PSMB8PSMB5

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-7732157-B1 Soluble epidermal growth factor receptor-like proteins and their uses in cancer detection methods TUMOR BIOLOGY INVESTMENT GROUP (US) 2010-06-08 US disclosed