SCHEMBL7633813

SCHEMBL7633813

CC(C)(C)c1ccc(C(=O)OO[C]2CCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MITF O75030 1/20 0.44
SLC6A2 P23975 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PRSS1 P07477 1/20 0.43
ACR P10323 1/20 0.43
HDAC1 Q13547 1/20 0.43
DHODH Q02127 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TNF P01375 1/20 0.42
KLF5 Q13887 1/20 0.42

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
SCHEMBL7625683 0.98 SMN1; SMN2 (0.47) MAPTTDP1L3MBTL1SMN1; SMN2CA1
SCHEMBL7635755 0.98 SMN1; SMN2 (0.47) MAPTTDP1L3MBTL1SMN1; SMN2CA1
SCHEMBL7629083 0.87 MAPT (0.51) MAPTTDP1L3MBTL1SMN1; SMN2CA1
SCHEMBL7628178 0.85 MAPT (0.43) MAPTTDP1L3MBTL1SMN1; SMN2CA1
SCHEMBL7631017 0.84 MEN1 (0.46) MAPTTDP1L3MBTL1SMN1; SMN2CA1
SCHEMBL7631506 0.83 TP53 (0.43) MAPTTDP1L3MBTL1SMN1; SMN2MITF
SCHEMBL7625336 0.82 MAPT (0.40) MAPTTDP1L3MBTL1CA1CA2
SCHEMBL7626946 0.81 TDP1 (0.50) MAPTTDP1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL5987317 0.80 HDAC1 (0.57) MAPTTDP1L3MBTL1CA1CA2
SCHEMBL7623860 0.80 TDP1 (0.48) MAPTTDP1L3MBTL1SMN1; SMN2ALDH1A1

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-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 EP disclosed