SCHEMBL7625231

SCHEMBL7625231

COc1ccccc1C(=O)OO[C]1CCC(C)CC1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.41
ATM Q13315 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
HPGD P15428 2/20 0.40
XBP1 P17861 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
FAAH O00519 1/20 0.39
CNR2 P34972 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 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
SCHEMBL7636804 0.85 NPC1 (0.36) KMT2AMEN1HPGDMAPTALDH1A1
SCHEMBL7629946 0.84 ATM (0.47) PIN1ATMKMT2AMEN1HPGD
SCHEMBL7636276 0.82 PIN1 (0.45) PIN1ATMKMT2AMEN1HPGD
SCHEMBL7625397 0.81 ATM (0.42) PIN1ATMKMT2AMEN1HPGD
SCHEMBL7635213 0.78 NPC1 (0.35) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL7628114 0.78 ATM (0.46) PIN1ATMKMT2AMEN1HPGD
SCHEMBL7627674 0.77 CA1 (0.44) KMT2AMEN1HPGDMAPTALDH1A1
SCHEMBL7633363 0.76 TDP1 (0.40) KMT2AMEN1HPGDMAPTALDH1A1
SCHEMBL7625567 0.76 ATM (0.47) PIN1ATMKMT2AMEN1HPGD
SCHEMBL7628940 0.76 SCN1A (0.43) KMT2AMEN1HPGDMAPTNPC1

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