SCHEMBL7630784

SCHEMBL7630784

[CH2]CCCC[C](OOC(=O)c1cccc(OC)c1)OOC(=O)c1cccc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
PARP1 P09874 1/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
BCHE P06276 1/20 0.42
HPGD P15428 1/20 0.42
ACHE P22303 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CASP3 P42574 1/20 0.41

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
SCHEMBL7633394 0.99 CES2 (0.48) CES2CES1ESR1ESR2PARP1
SCHEMBL7628496 0.99 CES2 (0.48) CES2CES1ESR1ESR2PARP1
SCHEMBL7630797 0.96 CES2 (0.50) CES2CES1ESR1ESR2PARP1
SCHEMBL7623543 0.91 CES2 (0.53) CES2CES1ESR1ESR2PARP1
SCHEMBL7634709 0.87 HPGD (0.44) MEN1KMT2ASMN1; SMN2TP53NPC1
SCHEMBL7630431 0.86 HDAC3 (0.39) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7632413 0.86 HPGD (0.44) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7631590 0.86 HPGD (0.44) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7628264 0.85 HDAC1 (0.40) MEN1KMT2ASMN1; SMN2
SCHEMBL7630103 0.85 HDAC1 (0.40) MEN1KMT2ASMN1; SMN2

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