SCHEMBL5081887

SCHEMBL5081887

CC(Cc1ccc(O)cc1C(C)(C)C)O[PH](=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYR P14679 7/20 0.41
ALDH1A1 P00352 2/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
MIF P14174 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.33
HMGCR P04035 1/20 0.33
ESRRG P62508 1/20 0.30

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
SCHEMBL29184942 0.77 TYR (0.47) TYRALDH1A1NR1I2LMNACYP2C9
SCHEMBL2279291 0.77 HMGCR (0.52) TYRALDH1A1LMNACYP2C9ALOX15
SCHEMBL19953454 0.74 ALDH1A1 (0.47) TYRALDH1A1NR1I2LMNACYP2C9
SCHEMBL3022538 0.74 TYR (0.43) TYRALDH1A1NR1I2LMNACYP2C9
SCHEMBL7518942 0.73 TYR (0.46) TYRALDH1A1NR1I2LMNACYP2C9
SCHEMBL4634692 0.72 TYR (0.57) TYRALDH1A1NR1I2LMNACYP2C9
SCHEMBL6584398 0.71 ALOX15 (0.51) TYRALDH1A1NR1I2LMNACYP2C9
SCHEMBL9513810 0.71 ALOX15 (0.51) TYRALDH1A1NR1I2LMNACYP2C9
SCHEMBL27535126 0.71 ALOX15 (0.51) TYRALDH1A1NR1I2LMNACYP2C9
SCHEMBL10586839 0.70 TYR (0.59) TYRALDH1A1NR1I2LMNACYP2C9

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-20080161454-A1 Stabilization Of Polyol Or Polyurethane Compositions Against Thermal Oxidation CIBA SPECIALTY CHEMICALS CORP. 2008-07-03 US disclosed