SCHEMBL28107992

SCHEMBL28107992

CC(C)(C)c1cc(-c2ccccc2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CO)cc(C(C)(C)C)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.57
CA1 P00915 1/20 0.57
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 3/20 0.51
ALDH1A1 P00352 8/20 0.49
TSHR P16473 5/20 0.49
CYP1A2 P05177 4/20 0.49
MAPK1 P28482 3/20 0.49
LMNA P02545 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP3A4 P08684 3/20 0.49
BLM P54132 2/20 0.49
ATM Q13315 2/20 0.49
HIF1A Q16665 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GMNN O75496 1/20 0.49
GABBR2 O75899 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL426214 0.88 CA2 (0.74) CA2CA1MEN1KMT2AGAA
Benzene SCHEMBL29148570 0.88 CA2 (0.74) CA2CA1MEN1KMT2AGAA
SCHEMBL2679807 0.87 MEN1 (0.51) CA2CA1MEN1KMT2AGAA
Phenol SCHEMBL3365396 0.86 GAA (0.54) CA2CA1MEN1KMT2AGAA
SCHEMBL13840641 0.86 CA2 (0.71) CA2CA1MEN1KMT2AGAA
SCHEMBL42656 0.84 ALDH1A1 (0.64) CA2CA1MEN1KMT2AGAA
SCHEMBL21753677 0.81 CA2 (0.57) CA2CA1MEN1KMT2AGAA
SCHEMBL13779478 0.81 CA2 (0.63) CA2CA1MEN1KMT2AGAA
Hydroquinone SCHEMBL6942759 0.80 ALDH1A1 (0.56) CA2CA1MEN1KMT2AGAA
Alcohol SCHEMBL9286265 0.80 ALDH1A1 (0.60) CA2CA1MEN1KMT2AGAA

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
CN-106232711-A High Purity Halogenated Rubber 阿朗新科新加坡私人有限公司 2016-12-14 CN disclosed