SCHEMBL3667985

SCHEMBL3667985

CNC(=O)CN(Cc1cccc(-c2cc(C(F)(F)F)ccc2[O])c1)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.39
PTGES O14684 4/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
TRPA1 O75762 1/20 0.35
HDAC8 Q9BY41 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
SCN9A Q15858 1/20 0.35
CETP P11597 1/20 0.35
PPARG P37231 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
SCHEMBL3667989 0.90 HDAC6 (0.41) HDAC6GPBAR1PTGESGRIN1GRIN2B
SCHEMBL3665827 0.84 FSHR (0.38) PTGESCYP3A4CYP2D6CYP2C9CETP
SCHEMBL1948062 0.84 PTGDR2 (0.57)
SCHEMBL3666865 0.78 HDAC6 (0.56) HDAC6GPBAR1HDAC8HDAC11CETP
SCHEMBL3671609 0.76 MLYCD (0.52) HDAC6HDAC1
SCHEMBL3665828 0.75 FSHR (0.38) PTGESCYP2D6CETPPPARGPPARA
SCHEMBL3668636 0.73 MTOR (0.64) RAB9A
SCHEMBL3666381 0.73 S1PR1 (0.43) GRIN1GRIN2BCYP3A4CYP2D6CYP2C9
SCHEMBL3672476 0.72 MTOR (0.43) HDAC6MRGPRX4HDAC1ALDH1A1
SCHEMBL1948049 0.71 PTGDR2 (0.53) PPARGPPARA

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 4 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 claimed
WO-2009089192-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS LIGAND PHARMACEUTICALS INC. (US) 2009-07-16 WO claimed
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