SCHEMBL9706399

SCHEMBL9706399

COC(=O)CC(=O)OCc1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
NR1I2 O75469 1/20 0.45
LMNA P02545 1/20 0.45
CYP2C9 P11712 1/20 0.45
MIF P14174 1/20 0.45
TYR P14679 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
NFE2L2 Q16236 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 3/20 0.42
GFER P55789 1/20 0.42
HSP90AB1 P08238 2/20 0.40
HSP90AA1 P07900 1/20 0.40
ATM Q13315 2/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ESRRA P11474 1/20 0.40
NR1H4 Q96RI1 2/20 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
SCHEMBL28407520 0.85 ALDH1A1 (0.47) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL12715355 0.83 ALDH1A1 (0.49) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL932909 0.82 ALDH1A1 (0.50) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL20598923 0.82 ALDH1A1 (0.62) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL490455 0.79 GAA (0.49) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL3125768 0.79 GAA (0.50) ALDH1A1LMNACYP2C9ALOX15HTT
SCHEMBL2564784 0.78 ALDH1A1 (0.57) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL11091980 0.77 ALDH1A1 (0.42) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL28460205 0.77 GAA (0.43) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL8011527 0.76 GSTP1 (0.44) ALDH1A1NR1I2LMNACYP2C9MIF

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-0487485-A2 Weather-resistant powder coating compositions U C B, S.A. (BE) 1992-05-27 EP disclosed