SCHEMBL3667571

SCHEMBL3667571

CCCCOC(=O)N(C)Cc1cccc(-c2cc(C(F)(F)F)ccc2O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.40
S1PR1 P21453 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ABHD6 Q9BV23 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.38
PDK1 Q15118 1/20 0.38
LIPE Q05469 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TACR1 P25103 1/20 0.38
ESR1 P03372 1/20 0.38
FAAH O00519 1/20 0.37
CACNA1B Q00975 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 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
SCHEMBL3667568 0.90 MGLL (0.42) MGLLPTGDR2S1PR1KDM4EABHD6
SCHEMBL3666383 0.89 S1PR1 (0.43) THRATHRBPTGDR2S1PR1KDM4E
SCHEMBL3670884 0.87 PTGDR2 (0.44) THRATHRBPTGDR2S1PR1KDM4E
SCHEMBL1948807 0.85 PTGDR2 (0.59) PTGDR2LTB4R2
SCHEMBL3665828 0.85 FSHR (0.38) THRATHRBPTGDR2S1PR1KDM4E
SCHEMBL3666210 0.83 FSHR (0.40) THRATHRBPTGDR2S1PR1KDM4E
SCHEMBL3672481 0.82 MTOR (0.43) THRATHRBS1PR1LTB4R2PDK1
SCHEMBL3666876 0.82 ABHD6 (0.54) MGLLTHRATHRBPTGDR2KDM4E
SCHEMBL3731306 0.82 CTSA (0.39) THRATHRBPTGDR2S1PR1KDM4E
SCHEMBL3671611 0.81 PDK1 (0.54) PDK1MEN1KMT2ATACR1HSD17B1

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