SCHEMBL19953454

SCHEMBL19953454

CC(C)(C)c1cc(O)ccc1CC(C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
CYP2C9 P11712 2/20 0.47
LMNA P02545 2/20 0.47
ALOX15 P16050 2/20 0.47
NR1I2 O75469 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
KMT2A Q03164 4/20 0.38
GLRA3 O75311 1/20 0.37
GLRB P48167 1/20 0.37
CYP3A4 P08684 3/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTR1A P08908 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6584398 0.86 ALOX15 (0.51) ALDH1A1HSD17B10CYP2C9LMNAALOX15
SCHEMBL27535126 0.86 ALOX15 (0.51) ALDH1A1HSD17B10CYP2C9LMNAALOX15
SCHEMBL9513810 0.86 ALOX15 (0.51) ALDH1A1HSD17B10CYP2C9LMNAALOX15
SCHEMBL4630314 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2C9LMNAALOX15
SCHEMBL30885859 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2C9LMNAALOX15
SCHEMBL4634692 0.78 TYR (0.57) ALDH1A1HSD17B10CYP2C9LMNAALOX15
SCHEMBL490958 0.77 TYR (0.54) ALDH1A1TYRKMT2AMEN1TSHR
SCHEMBL740968 0.77 POLB (0.50) ALDH1A1HSD17B10CYP2C9LMNAALOX15
SCHEMBL3022538 0.76 TYR (0.43) ALDH1A1HSD17B10CYP2C9LMNAALOX15
SCHEMBL5385308 0.76 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP2C9LMNAALOX15

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
EP-3510093-A1 ADDITIVE MIXTURE BASF SE (DE) 2019-07-17 EP disclosed
WO-2018046301-A1 ADDITIVE MIXTURE BASF SE (DE) 2018-03-15 WO disclosed