SCHEMBL11765620

SCHEMBL11765620

CC(O)C(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.52
CA1 P00915 2/20 0.52
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
POLB P06746 1/20 0.50
TYR P14679 1/20 0.50
HTT P42858 2/20 0.46
ALOX15 P16050 4/20 0.45
MAPT P10636 3/20 0.45
HPN P05981 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
GAA P10253 4/20 0.45
LMNA P02545 3/20 0.45
TSHR P16473 3/20 0.45
KDM4E B2RXH2 2/20 0.45
PKM P14618 1/20 0.45
ALOX12 P18054 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 4/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL185467 0.83 CA2 (0.56) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL11586001 0.82 CA2 (0.50) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL1250152 0.80 CYP1A2 (0.62) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL284652 0.80 CA2 (0.58) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL11133603 0.79 CA2 (0.52) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL1597366 0.78 CA2 (0.61) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL8772288 0.78 CA2 (0.61) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL10527974 0.77 CA2 (0.54) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL11659316 0.77 CA2 (0.54) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL10821958 0.77 CA2 (0.54) CA2CA1ALDH1A1SMN1; SMN2POLB

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-4020042-A Phenolic antioxidants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-04-26 US disclosed