SCHEMBL7630836

SCHEMBL7630836

Cc1ccccc1C(=O)OOC(=O)OCCC(COC(=O)OOC(=O)c1ccccc1C)C(CCOC(=O)OOC(=O)c1ccccc1C)COC(=O)OOC(=O)c1ccccc1C

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
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CA2 P00918 1/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL7636205 0.94 ADRB2 (0.41) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL7630032 0.94 ADRB2 (0.41) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL7628163 0.90 KMT2A (0.41) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL7629510 0.89 ADRB2 (0.43) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL7632205 0.85 CA12 (0.34) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL7635429 0.84 MEN1 (0.40) MEN1KMT2AALDH1A1TSHRL3MBTL1
SCHEMBL7628011 0.84 TAS1R3 (0.41) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL7630402 0.84 NPC1 (0.41) KMT2AALDH1A1L3MBTL1HPGDNPC1
SCHEMBL7635503 0.84 KMT2A (0.39) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL7631218 0.84 KMT2A (0.39) ADRB2ADRB1ADRB3MEN1KMT2A

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