SCHEMBL7918296

SCHEMBL7918296

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.56
MMP3 P08254 1/20 0.56
TAAR1 Q96RJ0 2/20 0.49
HCAR2 Q8TDS4 1/20 0.48
GRIK1 P39086 1/20 0.48
SRC P12931 1/20 0.46
GRIN2B Q13224 1/20 0.46
MME P08473 1/20 0.46
GPR34 Q9UPC5 1/20 0.46
FDFT1 P37268 2/20 0.46

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
SCHEMBL7924101 0.88 GRIK1 (0.54) MMP2MMP3GRIK1MMEFDFT1
SCHEMBL1861903 0.88 GRIK1 (0.59) MMP2MMP3GRIK1MMEFDFT1
SCHEMBL3466739 0.87 MMP2 (0.52) MMP2MMP3TAAR1HCAR2SRC
SCHEMBL3468867 0.86 GRIA2 (0.51) MMP2MMP3HCAR2GRIK1MME
SCHEMBL3467260 0.84 MMP2 (0.60) MMP2MMP3GRIK1MMEGPR34
SCHEMBL7929474 0.83 GRIK1 (0.46) MMP2MMP3GRIK1MMEFDFT1
SCHEMBL3467287 0.83 FOLH1 (0.52) MMP2MMP3GRIK1MMEFDFT1
SCHEMBL7932591 0.82 MMP12 (0.63) MMP2MMP3GRIK1MMEFDFT1
SCHEMBL7916834 0.82 MAOB (0.52) MMP3HCAR2
SCHEMBL3467418 0.82 SLC13A5 (0.55) MMP2MMP3GRIK1MME

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 1 patent. 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 disclosed