SCHEMBL3242852

SCHEMBL3242852

CCCCCCC(CC(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.54
GABBR1 Q9UBS5 1/20 0.54
GPR84 Q9NQS5 4/20 0.51
MMP2 P08253 8/20 0.50
MMP9 P14780 1/20 0.50
MMP12 P39900 1/20 0.50
CYSLTR2 Q9NS75 1/20 0.50
CYSLTR1 Q9Y271 1/20 0.50
MAPT P10636 1/20 0.49
NAAA Q02083 2/20 0.48
S1PR2 O95136 1/20 0.47
S1PR1 P21453 1/20 0.47
MMP1 P03956 2/20 0.46
MMP3 P08254 2/20 0.46

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
SCHEMBL27688433 1.00 GABBR2 (0.54) GABBR2GABBR1GPR84MMP2MMP9
SCHEMBL4403980 1.00 GABBR2 (0.54) GABBR2GABBR1GPR84MMP2MMP9
SCHEMBL7663044 0.98 GABBR2 (0.56) GABBR2GABBR1GPR84MMP2MMP9
SCHEMBL2289954 0.93 GABBR2 (0.58) GABBR2GABBR1MMP2MMP9MMP12
SCHEMBL14359785 0.89 GABBR2 (0.66) GABBR2GABBR1MAPT
SCHEMBL21359025 0.87 ALDH1A1 (0.49) GABBR2GABBR1MMP2MMP9CYSLTR2
SCHEMBL10825016 0.87 GPR84 (0.49) GPR84MMP9S1PR2S1PR1
SCHEMBL2292396 0.86 GABBR2 (0.61) GABBR2GABBR1MAPT
SCHEMBL28346014 0.86 GABBR2 (0.61) GABBR2GABBR1MAPT
SCHEMBL9328839 0.86 CERT1 (0.45) GABBR2GABBR1MMP2MMP9MMP12

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
WO-2010039531-A1 THERAPEUTIC COMPOUNDS RESOLVYX PHARMACEUTICALS, INC. (US) 2010-04-08 WO disclosed