SCHEMBL7626076

SCHEMBL7626076

COc1ccc(C(=O)OOC(=O)OCCC(COC(=O)OOC(=O)c2ccc(OC)cc2)C(COC(=O)OOC(=O)c2ccc(OC)cc2)C(COC(=O)OOC(=O)c2ccc(OC)cc2)C(CCOC(=O)OOC(=O)c2ccc(OC)cc2)COC(=O)OOC(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
GAA P10253 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ALDH1A1 P00352 3/20 0.37
SLC2A1 P11166 1/20 0.37

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
SCHEMBL7625638 0.97 CA1 (0.42) CA1CA2ADRB2ADRB1ADRB3
SCHEMBL7625523 0.94 CA1 (0.45) CA1CA2ADRB2ADRB1ADRB3
SCHEMBL7625074 0.88 ALDH1A1 (0.44) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7628019 0.88 KMT2A (0.41) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7634342 0.88 KMT2A (0.36) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL7634823 0.87 ADRB2 (0.39) CA2ADRB2ADRB1ADRB3MAPT
SCHEMBL7631161 0.87 TSHR (0.43) ADRB2ADRB1ADRB3MAPTSMN1; SMN2
SCHEMBL7627390 0.86 ALDH1A1 (0.37) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7623550 0.86 NPSR1 (0.45) SMN1; SMN2NPC1ESR2MEN1KMT2A
SCHEMBL7627039 0.86 CA1 (0.45) CA1CA2ADRB2ADRB1ADRB3

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