SCHEMBL3666381

SCHEMBL3666381

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.39
CYP2D6 P10635 2/20 0.38
LTB4R2 Q9NPC1 2/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
FSHR P23945 3/20 0.37
FAAH O00519 1/20 0.36
CACNA1B Q00975 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGIR P43119 1/20 0.36
PTGDR Q13258 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL3666383 0.91 S1PR1 (0.43) S1PR1PTGDR2CYP2D6LTB4R2GRIN2D
SCHEMBL3667568 0.89 MGLL (0.42) S1PR1PTGDR2LTB4R2FAAHCACNA1B
SCHEMBL3665827 0.88 FSHR (0.38) S1PR1PTGDR2CYP2D6LTB4R2FSHR
SCHEMBL1946318 0.86 PTGDR2 (0.57) PTGDR2LTB4R2
SCHEMBL3731304 0.85 CTSA (0.39) S1PR1PTGDR2CYP2D6LTB4R2CACNA1B
SCHEMBL3670881 0.85 PTGDR2 (0.44) S1PR1PTGDR2LTB4R2KDM4EALDH1A1
SCHEMBL3665828 0.79 FSHR (0.38) S1PR1PTGDR2CYP2D6LTB4R2FSHR
SCHEMBL3667571 0.79 MGLL (0.42) S1PR1PTGDR2LTB4R2FAAHCACNA1B
SCHEMBL3666210 0.78 FSHR (0.40) S1PR1PTGDR2CYP2D6FSHRFAAH
SCHEMBL3670312 0.77 FSHR (0.43) PTGDR2FSHRCYP3A4CYP2C9TBXA2R

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