SCHEMBL7944809

SCHEMBL7944809

CC(C)(C)c1cc(CN(CCO)C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.71
MAPT P10636 5/20 0.71
KDM4E B2RXH2 5/20 0.71
MAPK1 P28482 3/20 0.71
HPGD P15428 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
HTT P42858 1/20 0.71
GAA P10253 5/20 0.59
TSHR P16473 4/20 0.59
LMNA P02545 4/20 0.59
GSR P00390 2/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 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
ALOX15 P16050 2/20 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
SCHEMBL7941185 0.91 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL7943159 0.86 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EMAPK1HPGD
Ambunol SCHEMBL5991371 0.83 ALDH1A1 (1.00) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL7944941 0.81 ALDH1A1 (0.73) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL7944772 0.79 ALDH1A1 (0.84) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL7942536 0.78 HSPA5 (0.57) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL7941092 0.78 CYP2C19 (0.49) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL7941116 0.77 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL9416954 0.77 ALDH1A1 (0.77) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL5571049 0.77 ALDH1A1 (0.69) ALDH1A1MAPTKDM4EMAPK1HPGD

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