SCHEMBL10028285

SCHEMBL10028285

CC(=O)CC(C)(c1ccc(O)c(C(C)(C)C)c1)c1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
ALOX15 P16050 3/20 0.47
HSD17B10 Q99714 2/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.47
MIF P14174 1/20 0.47
TYR P14679 1/20 0.47
HTT P42858 1/20 0.47
NFE2L2 Q16236 1/20 0.47
HSP90AA1 P07900 5/20 0.45
HSP90AB1 P08238 5/20 0.45
ESRRA P11474 2/20 0.44
RARB P10826 2/20 0.41
RARG P13631 2/20 0.41
RARA P10276 1/20 0.41
CHEK1 O14757 1/20 0.41
FYN P06241 1/20 0.41
PDGFRB P09619 1/20 0.41
PIM1 P11309 1/20 0.41

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
SCHEMBL2801169 0.87 CHEK1 (0.48) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL29357116 0.87 CHEK1 (0.48) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL29758423 0.87 CHEK1 (0.48) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL10000631 0.85 HSP90AA1 (0.48) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL23566815 0.84 ALDH1A1 (0.44) ALDH1A1ALOX15HSD17B10NR1I2LMNA
Ethylene SCHEMBL6266470 0.84 CHEK1 (0.46) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL4770065 0.83 ALDH1A1 (0.43) ALDH1A1ALOX15HSD17B10NR1I2LMNA
Ethylene Glycol SCHEMBL11709595 0.83 CHEK1 (0.44) ALDH1A1ALOX15HSD17B10NR1I2LMNA
Glycolic Acid SCHEMBL5562280 0.83 CHEK1 (0.44) ALDH1A1ALOX15HSD17B10NR1I2LMNA
Ethylene Glycol SCHEMBL39427 0.83 CHEK1 (0.44) ALDH1A1ALOX15HSD17B10NR1I2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093320-B2 Compositions comprising polyphosphonates and additives that exhibit an advantageous combination of properties, and methods related thereto FRX POLYMERS, INC. (US) 2012-01-10 US disclosed
US-20100204354-A1 COMPOSITIONS COMPRISING POLYPHOSPHONATES AND ADDITIVES THAT EXHIBIT AN ADVANTAGEOUS COMBINATION OF PROPERTIES, AND METHODS RELATED THERETO FRX POLYMERS, INC. (US) 2010-08-12 US disclosed