SCHEMBL15936282

SCHEMBL15936282

COOC(=O)CCc1ccc(OCc2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.57
FFAR1 O14842 12/20 0.54
FFAR4 Q5NUL3 4/20 0.53
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP14 P50281 1/20 0.50
ADAM17 P78536 1/20 0.50
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
MAOB P27338 2/20 0.47
AKR1B1 P15121 1/20 0.47

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
SCHEMBL1508056 0.86 FFAR1 (0.48) MRGPRX4FFAR1FFAR4MMP2MMP9
SCHEMBL6205346 0.78 CHRM2 (0.53) MRGPRX4FFAR1
SCHEMBL13462733 0.78 MRGPRX4 (0.58) MRGPRX4MMP2MMP9MMP14ADAM17
SCHEMBL1745369 0.76 FFAR1 (0.76) FFAR1FFAR4AKR1B1
SCHEMBL5636 0.76 MMP2 (0.56) MRGPRX4FFAR1FFAR4MMP2MMP9
SCHEMBL5635 0.76 MMP2 (0.51) MRGPRX4FFAR1FFAR4MMP2MMP9
SCHEMBL13439807 0.76 MRGPRX4 (0.55) MRGPRX4MMP2MMP9MMP14ADAM17
SCHEMBL15936281 0.76 MRGPRX4 (0.57) MRGPRX4FFAR1MMP2MMP9MMP14
SCHEMBL1744720 0.75 FFAR1 (0.53) MRGPRX4FFAR1FFAR4MMP2MMP9
SCHEMBL3375496 0.75 MRGPRX4 (0.62) MRGPRX4FFAR1MMP2MMP9MMP14

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-B1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO CO LTD (JP) 2014-08-13 EP disclosed