SCHEMBL7627465

SCHEMBL7627465

C=C(OOC(=O)c1ccc(C(C)(C)C)cc1)OOC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.53
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SRD5A2 P31213 1/20 0.47
TNF P01375 1/20 0.46
KLF5 Q13887 1/20 0.46
NOD1 Q9Y239 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44

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
SCHEMBL5987317 0.90 HDAC1 (0.57) HDAC1MAPTTDP1L3MBTL1SRD5A2
SCHEMBL10634213 0.88 HDAC1 (0.55) HDAC1MAPTTDP1L3MBTL1SRD5A2
SCHEMBL9878491 0.83 TDP1 (0.69) HDAC1MAPTTDP1L3MBTL1SRD5A2
SCHEMBL7630449 0.83 MAPT (0.50) HDAC1MAPTTDP1L3MBTL1SRD5A2
SCHEMBL7624106 0.83 MAPT (0.50) HDAC1MAPTTDP1L3MBTL1SRD5A2
SCHEMBL7633843 0.82 MAPT (0.46) HDAC1MAPTTDP1L3MBTL1SRD5A2
SCHEMBL8385932 0.81 HDAC1 (0.53) HDAC1MAPTTDP1L3MBTL1SRD5A2
SCHEMBL10930021 0.81 CA1 (0.51) HDAC1MAPTTDP1L3MBTL1SRD5A2
SCHEMBL7623784 0.81 CA1 (0.46) HDAC1MAPTTDP1L3MBTL1SRD5A2
SCHEMBL7634900 0.80 CA1 (0.44) HDAC1MAPTTDP1L3MBTL1SRD5A2

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