SCHEMBL1508055

SCHEMBL1508055

CCC(C)OC(Cc1ccc(OCc2cccc(OC(F)(F)F)c2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.51
PPARA Q07869 7/20 0.50
PPARG P37231 6/20 0.50
PPARD Q03181 2/20 0.50
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP14 P50281 1/20 0.46
ADAM17 P78536 1/20 0.46
MAOB P27338 3/20 0.46
FFAR1 O14842 4/20 0.45
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
GPR132 Q9UNW8 1/20 0.45

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
SCHEMBL15936281 0.86 MRGPRX4 (0.57) MRGPRX4PPARAPPARGPPARDMMP2
SCHEMBL1508062 0.80 PPARA (0.53) MRGPRX4PPARAPPARGPPARDMMP2
SCHEMBL1508056 0.77 FFAR1 (0.48) MRGPRX4MMP2MMP9MMP14ADAM17
SCHEMBL13462733 0.76 MRGPRX4 (0.58) MRGPRX4MMP2MMP9MMP14ADAM17
SCHEMBL3959702 0.76 TRPM8 (0.48) PPARAPPARGPPARD
SCHEMBL4451913 0.74 PPARA (0.47) PPARAPPARG
SCHEMBL5385604 0.74 PPARA (0.68) PPARAPPARGPPARDMAOBFFAR1
SCHEMBL5365342 0.74 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL13819475 0.74 MRGPRX4 (0.59) MRGPRX4PPARAPPARGPPARDMAOB
SCHEMBL3375496 0.73 MRGPRX4 (0.62) 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