SCHEMBL3671902

SCHEMBL3671902

CN(Cc1cccc(-c2cc(C(F)(F)F)ccc2O)c1)C(=O)Oc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.46
ABHD6 Q9BV23 2/20 0.46
MGLL Q99685 1/20 0.44
TACR1 P25103 5/20 0.40
PDK1 Q15118 1/20 0.39
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
BRAF P15056 1/20 0.37
FFAR1 O14842 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
POLQ O75417 1/20 0.37
MTOR P42345 1/20 0.36

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
SCHEMBL3671898 0.91 LIPE (0.46) LIPEABHD6MGLLTACR1PTGDR2
SCHEMBL1948039 0.87 PTGDR2 (0.57) LIPEABHD6MGLLPTGDR2
SCHEMBL3666876 0.85 ABHD6 (0.54) LIPEABHD6MGLLTACR1PDK1
SCHEMBL3666332 0.81 MTOR (0.47) MGLLTACR1BRAFMTOR
SCHEMBL3671611 0.78 PDK1 (0.54) TACR1PDK1
SCHEMBL3669189 0.78 TACR1 (0.44) LIPETACR1PTGDR2
SCHEMBL3667571 0.78 MGLL (0.42) LIPEABHD6MGLLTACR1PDK1
SCHEMBL3666874 0.76 ABHD6 (0.54) LIPEABHD6MGLLTACR1PTGDR2
SCHEMBL3668638 0.76 MTOR (0.64) MGLLTACR1MTOR
SCHEMBL3670286 0.76 HSD17B1 (0.45) MGLLTACR1PDK1BRAF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240434-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS Ligand Pharmaceuticals Inc. (US) 2010-10-20 EP disclosed
WO-2009089192-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS LIGAND PHARMACEUTICALS INC. (US) 2009-07-16 WO disclosed