SCHEMBL11094902

SCHEMBL11094902

CC(C)(O)c1cc(C(C)(C)OO)cc(C(C)(C)OO)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL8582897 0.89 ALDH1A1 (0.59) ALDH1A1ALOX15GABRA1GABRB2MEN1
SCHEMBL2969906 0.82 ALDH1A1 (0.59) ALDH1A1ALOX15MEN1KMT2A
SCHEMBL15964465 0.82 GABRA1 (0.52) ALDH1A1ALOX15GABRA1GABRB2MEN1
SCHEMBL548187 0.81 GABRA1 (0.45) ALDH1A1ALOX15GABRA1GABRB2MEN1
SCHEMBL9174482 0.81 ALDH1A1 (0.47) ALDH1A1ALOX15MEN1KMT2A
SCHEMBL10929633 0.80 ALDH1A1 (0.50) ALDH1A1ALOX15GABRA1GABRB2
SCHEMBL8578305 0.80 ALDH1A1 (0.62) ALDH1A1ALOX15MEN1KMT2A
SCHEMBL2969176 0.75 ALDH1A1 (0.70) ALDH1A1ALOX15GABRA1GABRB2
SCHEMBL11572922 0.75 ALDH1A1 (0.50) ALDH1A1ALOX15
SCHEMBL11072941 0.75 ALDH1A1 (0.45) ALDH1A1ALOX15GABRA1GABRB2

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-4463199-A BY DECOMPOSTION OF 1,3,5-TRIISOPROPYLBENZENE TRIHYDROPEROXIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-07-31 US disclosed