SCHEMBL27559201

SCHEMBL27559201

CC(C)(C)c1cc(Sc2cc(C(C)(C)C)c(O)cc2CN)c(CN)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.58
ALDH1A1 P00352 7/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
TP53 P04637 4/20 0.58
HIF1A Q16665 4/20 0.58
CYP3A4 P08684 3/20 0.58
TSHR P16473 3/20 0.58
MAPK1 P28482 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 3/20 0.48
CYP1A2 P05177 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ATP2A2 P16615 1/20 0.48
ATP2A3 Q93084 1/20 0.48
CYP2C9 P11712 6/20 0.38
CYP2C19 P33261 5/20 0.38
CYP2D6 P10635 2/20 0.38
LMNA P02545 4/20 0.38
HPGD P15428 1/20 0.38
TYR P14679 2/20 0.37

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
SCHEMBL29517048 0.85 ALOX15 (0.61) ALOX15ALDH1A1SMN1; SMN2TP53HIF1A
SCHEMBL2484931 0.85 ALOX15 (0.61) ALOX15ALDH1A1SMN1; SMN2TP53HIF1A
SCHEMBL2483068 0.81 ALOX15 (0.56) ALOX15ALDH1A1SMN1; SMN2TP53HIF1A
SCHEMBL2484356 0.79 ALOX15 (0.54) ALOX15ALDH1A1SMN1; SMN2TP53HIF1A
SCHEMBL2477818 0.78 ALOX15 (0.53) ALOX15ALDH1A1SMN1; SMN2TP53HIF1A
SCHEMBL27997018 0.78 ALOX15 (0.52) ALOX15ALDH1A1SMN1; SMN2TP53HIF1A
SCHEMBL2485961 0.77 ALOX15 (0.70) ALOX15ALDH1A1SMN1; SMN2TP53HIF1A
SCHEMBL31267398 0.76 ALOX15 (0.50) ALOX15ALDH1A1SMN1; SMN2TP53HIF1A
SCHEMBL27482857 0.75 ALDH1A1 (0.48) ALOX15ALDH1A1SMN1; SMN2TP53HIF1A
SCHEMBL8747626 0.74 ALOX15 (0.52) ALOX15ALDH1A1SMN1; SMN2TP53HIF1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1301297-C Polyester resin compositions for profile extrusion and profiles made therefrom TOYO BOSEKI (JP) 2007-02-21 CN disclosed
CN-1633468-A Polyester resin compositions for profile extrusion and profiles made therefrom TOYO BOSEKI (JP) 2005-06-29 CN disclosed