SCHEMBL7632253

SCHEMBL7632253

Cc1cccc(C(=O)OOC(=O)OCCC(COC(=O)OOC(=O)c2cccc(C)c2)C(COC(=O)OOC(=O)c2cccc(C)c2)C(CCOC(=O)OOC(=O)c2cccc(C)c2)COC(=O)OOC(=O)c2cccc(C)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GPR17 Q13304 1/20 0.36
PARP1 P09874 1/20 0.36
MEN1 O00255 1/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR2 Q92731 1/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL7629011 0.98 ADRB2 (0.43) ADRB2ADRB1ADRB3L3MBTL1RAB9A
SCHEMBL7631264 0.94 ADRB2 (0.45) ADRB2ADRB1ADRB3L3MBTL1RAB9A
SCHEMBL7627960 0.88 KMT2A (0.36) L3MBTL1TAS1R3TAS1R1MEN1ESR1
SCHEMBL7631838 0.86 ADRB2 (0.45) ADRB2ADRB1ADRB3L3MBTL1RAB9A
SCHEMBL7629594 0.86 NPSR1 (0.45) L3MBTL1NPC1TAS1R3TAS1R1PARP1
SCHEMBL7624255 0.85 KMT2A (0.36) L3MBTL1TAS1R3TAS1R1MEN1ESR1
SCHEMBL7634658 0.85 ADRB2 (0.39) ADRB2ADRB1ADRB3L3MBTL1RAB9A
SCHEMBL7628984 0.85 LMNA (0.47) ADRB2ADRB1ADRB3SLC6A2SLC6A3
SCHEMBL7631343 0.85 KMO (0.38) RAB9ANPC1MAPT
SCHEMBL7628079 0.84 RAB9A (0.35) L3MBTL1RAB9AMAPTTAS1R3TAS1R1

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