SCHEMBL8019131

SCHEMBL8019131

CC=C(C)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
BCL9 O00512 1/20 0.54
CTNNB1 P35222 1/20 0.54
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
THRB P10828 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
MGLL Q99685 2/20 0.48
PTGS2 P35354 1/20 0.46
MAPT P10636 2/20 0.46

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
SCHEMBL9250274 0.82 GAA (0.62) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
SCHEMBL27659919 0.81 GAA (0.61) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
4-Nitrophenyl Acetate SCHEMBL74985 0.81 GAA (0.66) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
SCHEMBL28568321 0.81 GAA (0.57) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
4-Nitrophenyl Acetate SCHEMBL11309102 0.79 GAA (0.64) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
4-Nitrophenyl Acetate SCHEMBL3502992 0.79 GAA (0.64) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
SCHEMBL3560861 0.79 GAA (0.59) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
4-Nitrophenyl Acetate SCHEMBL21824458 0.79 GAA (0.64) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
4-Nitrophenyl Acetate SCHEMBL11309107 0.79 GAA (0.64) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
4-Nitrophenyl Acetate SCHEMBL8769916 0.79 GAA (0.64) GAABCL9CTNNB1ALDH1A1SMN1; SMN2

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-6133471-A Process for producing chromans KURARAY CO., LTD. (JP) 2000-10-17 US disclosed