SCHEMBL1508056

SCHEMBL1508056

CCC(C)OOC(=O)CCc1ccc(OCc2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.48
MRGPRX4 Q96LA9 2/20 0.48
FFAR4 Q5NUL3 5/20 0.47
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP14 P50281 1/20 0.46
ADAM17 P78536 1/20 0.46
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MAOB P27338 1/20 0.43
AKR1B1 P15121 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
SCHEMBL15936282 0.86 MRGPRX4 (0.57) FFAR1MRGPRX4FFAR4MMP2MMP9
SCHEMBL1508055 0.77 MRGPRX4 (0.51) FFAR1MRGPRX4MMP2MMP9MMP14
SCHEMBL13462733 0.76 MRGPRX4 (0.58) MRGPRX4MMP2MMP9MMP14ADAM17
SCHEMBL5635 0.73 MMP2 (0.51) FFAR1MRGPRX4FFAR4MMP2MMP9
SCHEMBL5636 0.73 MMP2 (0.56) FFAR1MRGPRX4FFAR4MMP2MMP9
SCHEMBL3939774 0.71 PPARA (0.51) FFAR1
SCHEMBL6205346 0.71 CHRM2 (0.53) FFAR1MRGPRX4
SCHEMBL15936281 0.71 MRGPRX4 (0.57) FFAR1MRGPRX4MMP2MMP9MMP14
SCHEMBL1508063 0.71 MRGPRX4 (0.53) FFAR1MRGPRX4FFAR4MMP2MMP9
SCHEMBL1508062 0.71 PPARA (0.53) FFAR1MRGPRX4MMP2MMP9MMP14

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