SCHEMBL1508058

SCHEMBL1508058

CCOC(CC)(CC(=O)O)c1ccc(OCc2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.52
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
ADAM17 P78536 1/20 0.47
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
MAOB P27338 2/20 0.45
FFAR1 O14842 7/20 0.44
FFAR4 Q5NUL3 1/20 0.44
NR4A2 P43354 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK14 Q16539 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.43

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
SCHEMBL1508063 0.78 MRGPRX4 (0.53) MRGPRX4MMP2MMP9MMP14ADAM17
SCHEMBL13439807 0.75 MRGPRX4 (0.55) MRGPRX4MMP2MMP9MMP14ADAM17
SCHEMBL13462733 0.75 MRGPRX4 (0.58) MRGPRX4MMP2MMP9MMP14ADAM17
SCHEMBL3375496 0.74 MRGPRX4 (0.62) MRGPRX4MMP2MMP9MMP14ADAM17
SCHEMBL1508368 0.74 FFAR1 (0.77) FFAR1
SCHEMBL13463063 0.72 MAOB (0.58) MRGPRX4MMP2MMP9MMP14ADAM17
SCHEMBL15936283 0.72 FFAR1 (0.64) MRGPRX4MMP2MMP9MMP14ADAM17
SCHEMBL366467 0.70 MMP2 (0.60) MRGPRX4MMP2MMP9MMP14ADAM17
SCHEMBL15936281 0.70 MRGPRX4 (0.57) MRGPRX4MMP2MMP9MMP14ADAM17
SCHEMBL1508062 0.70 PPARA (0.53) MRGPRX4MMP2MMP9MMP14ADAM17

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
EP-2289868-A1 CARBOXYLIC ACID COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-03-02 EP disclosed