SCHEMBL3667568

SCHEMBL3667568

CCCCOC(=O)N(C)Cc1cccc(-c2cc(C(F)(F)F)ccc2[O])c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.40
S1PR1 P21453 1/20 0.40
ABHD6 Q9BV23 2/20 0.39
LTB4R2 Q9NPC1 2/20 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
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
SIRT2 Q8IXJ6 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL3667571 0.90 MGLL (0.42) MGLLPTGDR2S1PR1ABHD6LTB4R2
SCHEMBL3666381 0.89 S1PR1 (0.43) PTGDR2S1PR1LTB4R2FAAHCACNA1B
SCHEMBL3670881 0.87 PTGDR2 (0.44) PTGDR2S1PR1LTB4R2KDM4EALDH1A1
SCHEMBL1948807 0.85 PTGDR2 (0.59) PTGDR2LTB4R2
SCHEMBL3665827 0.85 FSHR (0.38) PTGDR2S1PR1LTB4R2FAAHCACNA1B
SCHEMBL3672476 0.82 MTOR (0.43) PTGDR2S1PR1LTB4R2TACR1SIRT2
SCHEMBL3666874 0.82 ABHD6 (0.54) MGLLPTGDR2ABHD6LIPEMEN1
SCHEMBL3731304 0.82 CTSA (0.39) PTGDR2S1PR1LTB4R2CACNA1B
SCHEMBL3671609 0.81 MLYCD (0.52) MEN1KMT2ATACR1
SCHEMBL3666383 0.79 S1PR1 (0.43) PTGDR2S1PR1LTB4R2FAAHCACNA1B

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