SCHEMBL3467101

SCHEMBL3467101

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.46
F10 P00742 3/20 0.45
PRSS1 P07477 2/20 0.45
F2 P00734 1/20 0.45
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
MMP12 P39900 3/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MGLL Q99685 1/20 0.42
SENP1 Q9P0U3 1/20 0.42
PTGDR Q13258 1/20 0.42
MME P08473 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL3467349 0.90 PDE4A (0.53) FOLH1F10PRSS1F2PDE4A
SCHEMBL7929474 0.89 GRIK1 (0.46) MMP12MMEMMP13
SCHEMBL1860059 0.89 MMP12 (0.53) MMP12MMEMMP13
SCHEMBL3466703 0.87 MGLL (0.51) MGLLMME
SCHEMBL3468279 0.87 HCAR2 (0.47) FOLH1F10PRSS1F2PDE4A
SCHEMBL3466501 0.86 HCAR2 (0.52) MEN1KMT2APTGDRMME
SCHEMBL3466739 0.86 MMP2 (0.52) PDE4APDE4BPDE4CPDE4DMMP12
SCHEMBL3467645 0.83 MMP2 (0.56) PDE4DMGLLMME
SCHEMBL3467017 0.83 MMP12 (0.57) FOLH1PRSS1PDE4APDE4BPDE4C
SCHEMBL1859940 0.82 GRIK1 (0.51) FOLH1LMNAKMT2A

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 2 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