SCHEMBL3467455

SCHEMBL3467455

O=C(O)C(CCCc1ccccc1)CCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 3/20 0.56
MMP2 P08253 3/20 0.54
MMP3 P08254 3/20 0.54
GRIK1 P39086 1/20 0.50
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
MME P08473 1/20 0.45
FAAH O00519 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
PPARA Q07869 2/20 0.44
PPARD Q03181 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL3467260 0.89 MMP2 (0.60) FDFT1MMP2MMP3GRIK1MME
SCHEMBL1860684 0.89 LTA4H (0.53) FDFT1MMP2MMP3GRIK1PLAAT3
SCHEMBL1861903 0.87 GRIK1 (0.59) FDFT1MMP2MMP3GRIK1MME
SCHEMBL3466524 0.87 FDFT1 (0.51) FDFT1MMP2MMP3PLAAT3PLAAT5
SCHEMBL7929539 0.86 MMP2 (0.48) FDFT1MMP2MMP3PPARAPPARD
SCHEMBL7924101 0.85 GRIK1 (0.54) FDFT1MMP2MMP3GRIK1MME
SCHEMBL8041638 0.84 GRIK1 (0.56) FDFT1MMP2MMP3GRIK1MME
SCHEMBL3468514 0.84 SLC13A5 (0.53) MMP2MMP3GRIK1MMEPPARA
SCHEMBL1860416 0.83 GRIK1 (0.68) MMP2MMP3GRIK1PPARAPPARG
SCHEMBL7922577 0.82 PPARG (0.56) FDFT1MMP2MMP3GRIK1MME

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010070076-A1 ALKANOIC ACID DERIVATIVES AND THEIR THERAPEUTIC USE AS HDAC INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2010-06-24 WO claimed
WO-2010070076-A1 ALKANOIC ACID DERIVATIVES AND THEIR THERAPEUTIC USE AS HDAC INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2010-06-24 WO disclosed
WO-2010070076-A1 ALKANOIC ACID DERIVATIVES AND THEIR THERAPEUTIC USE AS HDAC INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2010-06-24 WO disclosed