SCHEMBL8962151

SCHEMBL8962151

COC(C)(OC)c1[c]ccc(O)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
MIF P14174 1/20 0.32
TYR P14679 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL2395901 0.81 ALDH1A1 (0.40) NR1I2ALDH1A1LMNACYP2C9MIF
SCHEMBL5144270 0.81 HSD17B10 (0.37) NR1I2ALDH1A1LMNACYP2C9MIF
SCHEMBL6659198 0.74 ESR1 (0.34) NR1I2ALDH1A1LMNACYP2C9MIF
SCHEMBL10616239 0.74
SCHEMBL9217122 0.73 MAPT (0.39) ALDH1A1LMNAALOX15HSD17B10
SCHEMBL1636904 0.72 HSD17B3 (0.33) ALDH1A1LMNAHSD17B10
SCHEMBL8775256 0.71
SCHEMBL197450 0.68
SCHEMBL28088249 0.65 ACHE (0.31)
SCHEMBL183348 0.64

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-0449216-B1 3,5-di-tertiarybutyl-4-hydroxyphenylmethylene derivatives of 2-substituted thiazolidinones, oxazolidinones, and imidazolidinones as antiinflammatory agents WARNER LAMBERT CO (US) 1996-02-07 EP disclosed