SCHEMBL7629083

SCHEMBL7629083

CC(C)(C)c1ccc(C(=O)OOC2=C(OOC(=O)c3ccc(C(C)(C)C)cc3)CCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PRSS1 P07477 1/20 0.47
ACR P10323 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
MITF O75030 1/20 0.44
SLC6A2 P23975 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
HDAC1 Q13547 1/20 0.43
NR4A2 P43354 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
LMNA P02545 2/20 0.43
DHODH Q02127 2/20 0.43

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
SCHEMBL7633813 0.87 MAPT (0.47) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL7625683 0.86 SMN1; SMN2 (0.47) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL7635755 0.86 SMN1; SMN2 (0.47) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL7631071 0.81 TDP1 (0.50) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL5987317 0.80 HDAC1 (0.57) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL7629325 0.80 ALDH1A1 (0.48) MAPTTDP1SMN1; SMN2MEN1KMT2A
SCHEMBL7629494 0.80 CA1 (0.56) MAPTPRSS1ACRSMN1; SMN2CA1
SCHEMBL7626481 0.79 ALDH1A1 (0.42) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL10634213 0.79 HDAC1 (0.55) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL7627924 0.78 F2 (0.59) MAPTTDP1L3MBTL1SMN1; SMN2MEN1

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