SCHEMBL3467418

SCHEMBL3467418

O=C(O)C(CCCc1ccccc1)CCc1ccc(-c2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.55
MME P08473 1/20 0.48
SERPINE1 P05121 1/20 0.46
MMP2 P08253 3/20 0.44
MMP3 P08254 3/20 0.44
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
GRIK1 P39086 1/20 0.43

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
SCHEMBL7916834 0.85 MAOB (0.52) SLC13A5MMP3
SCHEMBL3467260 0.83 MMP2 (0.60) SLC13A5MMEMMP2MMP3HDAC1
SCHEMBL1861903 0.82 GRIK1 (0.59) MMEMMP2MMP3FFAR1HDAC2
SCHEMBL7918296 0.82 MMP2 (0.56) MMEMMP2MMP3GRIK1
SCHEMBL3468867 0.80 GRIA2 (0.51) MMEMMP2MMP3FFAR1FFAR4
SCHEMBL3467381 0.80 SLC7A5 (0.50) MMP2MMP3GRIK1
SCHEMBL3467455 0.79 FDFT1 (0.56) MMEMMP2MMP3GRIK1
SCHEMBL3467287 0.77 FOLH1 (0.52) MMEMMP2MMP3GRIK1
SCHEMBL7929474 0.77 GRIK1 (0.46) MMEMMP2MMP3GRIK1
SCHEMBL7924101 0.77 GRIK1 (0.54) MMEMMP2MMP3GRIK1

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