SCHEMBL7634823

SCHEMBL7634823

Cc1ccc(C(=O)OOC(=O)OCCC(COC(=O)OOC(=O)c2ccc(C)cc2)C(COC(=O)OOC(=O)c2ccc(C)cc2)C(COC(=O)OOC(=O)c2ccc(C)cc2)C(CCOC(=O)OOC(=O)c2ccc(C)cc2)COC(=O)OOC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 4/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL7634658 0.97 ADRB2 (0.39) ADRB2ADRB1ADRB3TDP1RAB9A
SCHEMBL7631414 0.93 ADRB2 (0.42) ADRB2ADRB1ADRB3TDP1RAB9A
SCHEMBL7627390 0.88 ALDH1A1 (0.37) TDP1RAB9AMAPTNPC1ALDH1A1
SCHEMBL7626076 0.87 CA1 (0.42) ADRB2ADRB1ADRB3TDP1RAB9A
SCHEMBL7634279 0.87 MEN1 (0.39) RAB9AMAPTNPC1ALDH1A1PKM
SCHEMBL7624255 0.87 KMT2A (0.36) TDP1ALDH1A1PKMGAAKMT2A
SCHEMBL7631796 0.86 LMNA (0.47) ADRB2ADRB1ADRB3TDP1ALDH1A1
SCHEMBL7630709 0.86 MEN1 (0.37) TDP1RAB9AMAPTNPC1ALDH1A1
SCHEMBL7630822 0.86 PKM (0.34) PKMMAPK1HSD17B10
SCHEMBL7629547 0.86 RAB9A (0.35) TDP1RAB9AMAPTALDH1A1PKM

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