SCHEMBL7941185

SCHEMBL7941185

Cc1cc(CN(CCO)C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
MAPT P10636 4/20 0.59
KDM4E B2RXH2 4/20 0.59
MAPK1 P28482 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HPGD P15428 2/20 0.59
HTT P42858 1/20 0.59
TSHR P16473 4/20 0.49
LMNA P02545 3/20 0.49
GAA P10253 3/20 0.49
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
GSR P00390 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 2/20 0.41
BLM P54132 2/20 0.41
ATM Q13315 2/20 0.41

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
SCHEMBL7944809 0.91 ALDH1A1 (0.71) ALDH1A1MAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL8407963 0.85 ALDH1A1 (0.82) ALDH1A1MAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL7944793 0.84 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL7942343 0.81 ALDH1A1 (0.70) ALDH1A1MAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL9416994 0.80 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL8409980 0.79 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL9416933 0.79 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL7941386 0.78 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL8411087 0.78 ALDH1A1 (0.66) ALDH1A1MAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL8940768 0.78 ALDH1A1 (0.79) ALDH1A1MAPTKDM4EMAPK1SMN1; 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