SCHEMBL7623955

SCHEMBL7623955

[CH2]COOC(=O)c1cccc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57
PARP1 P09874 1/20 0.54
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 2/20 0.50
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
POLB P06746 1/20 0.48
BLM P54132 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL7633966 0.88 CES2 (0.54) CES2CES1PARP1ESR1ESR2
SCHEMBL7630145 0.85 CES2 (0.51) CES2CES1PARP1ESR1ESR2
SCHEMBL7633095 0.85 HPGD (0.49) MEN1KMT2ASMN1; SMN2TP53NPC1
SCHEMBL23509 0.85 CES2 (0.71) CES2CES1PARP1ESR1ESR2
SCHEMBL7628257 0.84 CES2 (0.50) CES2CES1PARP1ESR1ESR2
SCHEMBL11489024 0.84 CES2 (0.61) CES2CES1PARP1ESR1ESR2
SCHEMBL7631872 0.83 KDM4E (0.44) CES2CES1MEN1KMT2ASMN1; SMN2
SCHEMBL7633000 0.83 CES2 (0.49) CES2CES1PARP1ESR1ESR2
SCHEMBL7626368 0.83 CES2 (0.49) CES2CES1PARP1ESR1ESR2
SCHEMBL7626737 0.83 CES2 (0.49) 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