SCHEMBL7634382

SCHEMBL7634382

COc1ccccc1C(=O)OO[C]1CCCC(C)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PIN1 Q13526 1/20 0.41
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL7637245 0.85 ALDH1A1 (0.39) KMT2AMEN1MAPTESR1ESR2
SCHEMBL7636276 0.84 PIN1 (0.45) ATMKMT2AMEN1PIN1HPGD
SCHEMBL7630313 0.84 ESR1 (0.51) ATMKMT2AMEN1HPGDMAPT
SCHEMBL7630052 0.84 PIN1 (0.42) ATMKMT2AMEN1PIN1HPGD
SCHEMBL7631107 0.83 ESR1 (0.50) ATMKMT2AMEN1HPGDMAPT
SCHEMBL7637298 0.83 ESR1 (0.50) ATMKMT2AMEN1HPGDMAPT
SCHEMBL7636387 0.80 LMNA (0.44) KMT2AMEN1ALDH1A1
SCHEMBL7625567 0.79 ATM (0.47) ATMKMT2AMEN1PIN1HPGD
SCHEMBL7629946 0.79 ATM (0.47) ATMKMT2AMEN1PIN1HPGD
SCHEMBL7625397 0.79 ATM (0.42) ATMKMT2AMEN1PIN1HPGD

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