SCHEMBL7625463

SCHEMBL7625463

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 5/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.35
LMNA P02545 2/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
F2 P00734 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL7629461 0.92 TDP1 (0.46) TDP1ALDH1A1RAB9AMAPTNPC1
SCHEMBL7627324 0.87 ALDH1A1 (0.41) TDP1ALDH1A1RAB9AMAPTNPC1
SCHEMBL7633259 0.86 CA1 (0.46) ALDH1A1RAB9AMAPTNPC1LMNA
SCHEMBL7627403 0.85 LMNA (0.53) TDP1ALDH1A1RAB9AMAPTNPC1
SCHEMBL7632708 0.85 F2 (0.32) LMNAF2
SCHEMBL7623604 0.85 MEN1 (0.39) ALDH1A1RAB9AMAPTNPC1POLB
SCHEMBL7623611 0.85 CA1 (0.42) TDP1ALDH1A1RAB9AMAPTNPC1
SCHEMBL7627600 0.83 ALDH1A1 (0.45) ALDH1A1RAB9AMAPTNPC1LMNA
SCHEMBL7635393 0.83 NPC1 (0.44) TDP1RAB9AMAPTNPC1POLB
SCHEMBL7633964 0.83 KDM4E (0.46) ALDH1A1RAB9AMAPTNPC1LMNA

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