SCHEMBL3462685

SCHEMBL3462685

O=C(NCC1CCCCC1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.78
F2 P00734 1/20 0.65
PLG P00747 1/20 0.65
PRSS1 P07477 1/20 0.65
PRSS2 P07478 1/20 0.65
PRSS3 P35030 1/20 0.65
ST14 Q9Y5Y6 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPT P10636 1/20 0.61
ALOX12 P18054 1/20 0.61
HTT P42858 1/20 0.61
MLYCD O95822 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
LMNA P02545 1/20 0.58
CA2 P00918 1/20 0.58
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
MMP2 P08253 1/20 0.55
HPGD P15428 1/20 0.55

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
SCHEMBL25123079 0.87 SMN1; SMN2 (0.76) MMP13SMN1; SMN2ALDH1A1MLYCDHDAC6
SCHEMBL8395225 0.87 SMN1; SMN2 (0.76) MMP13SMN1; SMN2ALDH1A1MLYCDHDAC6
SCHEMBL4522241 0.87 SMN1; SMN2 (0.76) MMP13SMN1; SMN2ALDH1A1MLYCDHDAC6
SCHEMBL8391563 0.85 SMN1; SMN2 (0.73) MMP13SMN1; SMN2MLYCDHDAC6CA2
SCHEMBL10722498 0.85 HDAC6 (0.77) MMP13F2PLGPRSS1PRSS2
SCHEMBL8167653 0.84 HDAC6 (0.69) MMP13SMN1; SMN2ALDH1A1MLYCDHDAC6
Methyl Alcohol SCHEMBL11518093 0.84 SMN1; SMN2 (0.72) MMP13SMN1; SMN2MLYCDHDAC6CA2
SCHEMBL9267844 0.83 ALDH1A1 (0.61) MMP13F2PLGPRSS1PRSS2
SCHEMBL8393362 0.82 SMN1; SMN2 (0.68) MMP13SMN1; SMN2MLYCDHDAC6CA2
SCHEMBL5967848 0.81 NPC1 (0.57) MMP13SMN1; SMN2ALDH1A1MAPTALOX12

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
EP-2239012-A2 Pharmaceutical use of substituted amides High Point Pharmaceuticals, LLC (US) 2010-10-13 EP claimed