SCHEMBL28819939

SCHEMBL28819939

CC(C)(C)c1cc(CN)cc(C(C)(C)C)c1OCC(CO)(CO)CO.OP(O)OP(O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
GMNN O75496 1/20 0.33
GABBR2 O75899 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 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
SCHEMBL27494716 0.94 MEN1 (0.34) MEN1GMNNGABBR2ALDH1A1LMNA
SCHEMBL27284159 0.93 ALDH1A1 (0.37) MEN1GMNNGABBR2ALDH1A1LMNA
SCHEMBL28716411 0.87 HSPA5 (0.39) MEN1GMNNGABBR2ALDH1A1LMNA
Phosphoric Acid SCHEMBL27622426 0.86 MEN1 (0.33) MEN1GMNNGABBR2ALDH1A1LMNA
SCHEMBL28706484 0.84 CYP2D6 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19HIF1A
Pyrophosphoric Acid SCHEMBL27490053 0.83 MEN1 (0.31) MEN1GMNNGABBR2ALDH1A1LMNA
Pyrophosphoric Acid SCHEMBL27558863 0.82 MEN1 (0.30) MEN1GMNNGABBR2ALDH1A1LMNA
SCHEMBL27946889 0.81 HSPA5 (0.41) MEN1GMNNGABBR2ALDH1A1LMNA
SCHEMBL27979672 0.80
SCHEMBL27523155 0.79 HSPA5 (0.44) MEN1GMNNGABBR2ALDH1A1LMNA

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-104603494-A Impact-absorbing member TORAY INDUSTRIES 2015-05-06 CN disclosed