SCHEMBL7629910

SCHEMBL7629910

COc1cccc(C(=O)OOC(=O)OCCC(COC(=O)OOC(=O)c2cccc(OC)c2)C(CCOC(=O)OOC(=O)c2cccc(OC)c2)COC(=O)OOC(=O)c2cccc(OC)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
PARP1 P09874 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TP53 P04637 1/20 0.41
POLB P06746 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 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
SCHEMBL7623550 0.94 NPSR1 (0.45) SMN1; SMN2MEN1KMT2ACES2CES1
SCHEMBL7629594 0.94 NPSR1 (0.45) SMN1; SMN2MEN1KMT2ACES2CES1
SCHEMBL7630219 0.90 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2ACES2CES1
SCHEMBL7629568 0.88 MAPK1 (0.43) SMN1; SMN2MEN1KMT2APOLBCASP3
SCHEMBL7636650 0.87 KMT2A (0.38) SMN1; SMN2MEN1KMT2ANPSR1NPC1
SCHEMBL7631264 0.85 ADRB2 (0.45) MEN1KMT2AESR1ESR2PARP1
SCHEMBL7625523 0.85 CA1 (0.45) SMN1; SMN2MEN1KMT2ACES2CES1
SCHEMBL7633060 0.83 ADRB2 (0.41) SMN1; SMN2MEN1KMT2APOLBCASP3
SCHEMBL7623566 0.83 ADRB2 (0.41) SMN1; SMN2MEN1KMT2APOLBCASP3
SCHEMBL7626129 0.82 LMNA (0.52) SMN1; SMN2KMT2ANPSR1TP53ALDH1A1

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