SCHEMBL3666865

SCHEMBL3666865

CC(=O)N(Cc1cccc(-c2cc(C(F)(F)F)ccc2[O])c1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.56
LTB4R2 Q9NPC1 1/20 0.45
SERPINE1 P05121 1/20 0.44
TSPO P30536 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.42
PDK1 Q15118 1/20 0.41
CETP P11597 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
TACR1 P25103 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
BACE1 P56817 1/20 0.38

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
SCHEMBL3666867 0.89 HDAC6 (0.56) HDAC6LTB4R2SERPINE1TSPOHDAC11
SCHEMBL1948555 0.84 PTGDR2 (0.64) HDAC6PTGDR2
SCHEMBL3670881 0.83 PTGDR2 (0.44) HDAC6LTB4R2SERPINE1HDAC11HDAC8
SCHEMBL3671609 0.80 MLYCD (0.52) HDAC6PDK1TACR1MEN1KMT2A
SCHEMBL3667985 0.78 HDAC6 (0.41) HDAC6HDAC11HDAC8CETPGPBAR1
SCHEMBL3668636 0.78 MTOR (0.64) TACR1MEN1KMT2A
SCHEMBL3666874 0.78 ABHD6 (0.54) PTGDR2TACR1MEN1KMT2A
SCHEMBL3668838 0.76 NR1H3 (0.51) HDAC6PTGDR2MEN1KMT2A
SCHEMBL3672476 0.74 MTOR (0.43) HDAC6LTB4R2PTGDR2TACR1
SCHEMBL3671898 0.74 LIPE (0.46) PTGDR2TACR1

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