SCHEMBL7941133

SCHEMBL7941133

CC(C)(C)c1cccc(CN(CCO)C(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
ALOX12 P18054 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSPA5 P11021 2/20 0.33
GAA P10253 2/20 0.33

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
SCHEMBL8409756 0.84 ALDH1A1 (0.55) CA2GABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL7941366 0.83 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL7944832 0.81 ALDH1A1 (0.48) CA2GABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL8407642 0.79 CA2 (0.47) CA2GABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL7941092 0.78 CYP2C19 (0.49) CA2ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL7942536 0.78 HSPA5 (0.57) CA2ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL8411002 0.78 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL3809080 0.75 CA2 (0.59) CA2GABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL10706992 0.75 CA2 (0.64) CA2GABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL14853268 0.74 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1SMN1; 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-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed