SCHEMBL7629686

SCHEMBL7629686

[CH2]COC[C](OOC(=O)c1ccc(C(C)(C)C)cc1)OOC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC1 Q13547 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
APEX1 P27695 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TNF P01375 1/20 0.40
KLF5 Q13887 1/20 0.40
NOD1 Q9Y239 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SRD5A2 P31213 1/20 0.39

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
SCHEMBL7623611 0.93 CA1 (0.42) CA1CA2MAPTTDP1L3MBTL1
SCHEMBL7623784 0.84 CA1 (0.46) CA1CA2MAPTTDP1L3MBTL1
SCHEMBL7629461 0.83 TDP1 (0.46) MAPTTDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL7631448 0.82 CA1 (0.43) CA1CA2MAPTTDP1L3MBTL1
SCHEMBL7627165 0.82 ALDH1A1 (0.44) MAPTTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL7630120 0.81 CA1 (0.50) CA1CA2MAPTL3MBTL1HDAC1
SCHEMBL5987317 0.80 HDAC1 (0.57) CA1CA2MAPTTDP1L3MBTL1
SCHEMBL7627824 0.80 LMNA (0.59) MAPTTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL7635028 0.80 CA1 (0.47) CA1CA2MAPTTDP1L3MBTL1
SCHEMBL7631643 0.79 MEN1 (0.41) L3MBTL1ALDH1A1LMNASMN1; SMN2NPC1

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