SCHEMBL3667989

SCHEMBL3667989

CNC(=O)CN(Cc1cccc(-c2cc(C(F)(F)F)ccc2O)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
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
HIF1A Q16665 2/20 0.37
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
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTPN5 P54829 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 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
SCHEMBL3667985 0.90 HDAC6 (0.41) HDAC6GPBAR1PTGESGRIN1GRIN2B
SCHEMBL3665828 0.84 FSHR (0.38) THRATHRBPTGESCYP2D6CETP
SCHEMBL1948062 0.84 PTGDR2 (0.57)
SCHEMBL3666867 0.78 HDAC6 (0.56) HDAC6GPBAR1THRATHRBPTPN5
SCHEMBL3671611 0.76 PDK1 (0.54) HDAC6
SCHEMBL3666210 0.76 FSHR (0.40) THRATHRBMRGPRX4CYP2D6CETP
SCHEMBL3665827 0.75 FSHR (0.38) PTGESCYP3A4CYP2D6CYP2C9CETP
SCHEMBL3668638 0.73 MTOR (0.64) RAB9AMAPTHTT
SCHEMBL3666383 0.73 S1PR1 (0.43) THRATHRBGRIN1GRIN2BCYP3A4
SCHEMBL3672481 0.72 MTOR (0.43) THRATHRBHIF1AMRGPRX4

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