SCHEMBL10276510

SCHEMBL10276510

CC(C)(C)c1cc(C(CC(=O)ONCCNOC(=O)CC(c2ccc(O)c(C(C)(C)C)c2)C(C)(C)C)C(C)(C)C)ccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
MIF P14174 1/20 0.36
TYR P14679 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ATM Q13315 2/20 0.36
GAA P10253 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ESRRA P11474 2/20 0.36
NR1H4 Q96RI1 7/20 0.34
VCAM1 P19320 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
SCHEMBL18035165 0.94 ATM (0.37) ALDH1A1HSP90AA1HSP90AB1NR1I2LMNA
SCHEMBL21629685 0.87 ALDH1A1 (0.41) ALDH1A1HSP90AA1HSP90AB1NR1I2LMNA
SCHEMBL10447993 0.82 ATM (0.43) ALDH1A1HSP90AA1HSP90AB1NR1I2LMNA
SCHEMBL9239126 0.81 ATM (0.39) ALDH1A1HSP90AA1HSP90AB1NR1I2LMNA
SCHEMBL28311334 0.80 ALDH1A1 (0.43) ALDH1A1HSP90AA1HSP90AB1NR1I2LMNA
SCHEMBL7108338 0.80 ALDH1A1 (0.43) ALDH1A1HSP90AA1HSP90AB1NR1I2LMNA
SCHEMBL28287386 0.79 ALDH1A1 (0.42) ALDH1A1HSP90AA1HSP90AB1NR1I2LMNA
SCHEMBL23566820 0.79 KMT2A (0.40) ALDH1A1HSP90AA1HSP90AB1NR1I2LMNA
SCHEMBL28319173 0.78 GAA (0.42) ALDH1A1HSP90AA1HSP90AB1NR1I2LMNA
SCHEMBL5617864 0.76 GAA (0.46) LMNAATMGAAXBP1NPSR1

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
US-20120175555-A1 Use of thermoplastic copolyester or copolyamide elastomer to increase oxygen scavenger activity of functionalized polyolefin films BASF SE (DE) 2012-07-12 US disclosed