SCHEMBL7628459

SCHEMBL7628459

COC[C](C)OOC(=O)c1cccc(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
PARP1 P09874 1/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
NPC1 O15118 5/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 2/20 0.49
BLM P54132 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL7629805 0.87 KMT2A (0.49) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL7630344 0.87 CES2 (0.56) CES2CES1PARP1ESR1ESR2
SCHEMBL23509 0.86 CES2 (0.71) CES2CES1PARP1ESR1ESR2
SCHEMBL7633801 0.84 KDM4E (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7625641 0.84 NPC1 (0.46) PARP1ESR1ESR2NPC1RAB9A
SCHEMBL7627551 0.83 CES2 (0.62) CES2CES1PARP1ESR1ESR2
SCHEMBL7627894 0.81 CA1 (0.55) CES2CES1PARP1ESR2NPC1
SCHEMBL7630725 0.81 MAPT (0.50) LMNA
SCHEMBL7623961 0.81 LMNA (0.61) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL7652880 0.81 CES2 (0.65) CES2CES1PARP1ESR1ESR2

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