SCHEMBL8986512

SCHEMBL8986512

CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.C[Al]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.61
CA1 P00915 2/20 0.61
ALDH1A1 P00352 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
POLB P06746 1/20 0.58
TYR P14679 1/20 0.58
ALOX15 P16050 3/20 0.52
MAPT P10636 2/20 0.52
HPN P05981 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
CYP1A2 P05177 4/20 0.51
TSHR P16473 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP3A4 P08684 2/20 0.51
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
HSP90AA1 P07900 1/20 0.50
GAA P10253 3/20 0.47
HTT P42858 2/20 0.47

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
SCHEMBL35141 0.95 CA2 (0.67) CA2CA1ALDH1A1SMN1; SMN2POLB
Trimethylammonium SCHEMBL29145211 0.88 CA2 (0.58) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL8548952 0.88 CA2 (0.58) CA2CA1ALDH1A1SMN1; SMN2POLB
Butylated Hydroxytoluene SCHEMBL8034258 0.86 CA2 (0.82) CA2CA1ALDH1A1SMN1; SMN2POLB
Phenol SCHEMBL7025701 0.85 CYP3A4 (0.57) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL10746183 0.84 CA2 (0.54) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL9861329 0.84 CA2 (0.54) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL241470 0.83 HSP90AA1 (0.62) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL29671062 0.83 HSP90AA1 (0.62) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL247483 0.83 CA2 (0.52) 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
EP-0510602-B1 Living polymerization method KANSAI PAINT CO LTD (JP) 1996-06-26 EP claimed