SCHEMBL8608262

SCHEMBL8608262

CC(N)CNC(=O)CCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.44
KMT2A Q03164 2/20 0.44
NR5A2 O00482 1/20 0.40
NR5A1 Q13285 1/20 0.40
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.34
MAOB P27338 2/20 0.34
HSP90AA1 P07900 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAOA P21397 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
SCHEMBL8607245 0.88 HSPA5 (0.48) GAAKMT2AMEN1ALDH1A1HTT
SCHEMBL8606505 0.88 NR5A2 (0.41) GAAKMT2ANR5A2NR5A1ALDH1A1
SCHEMBL8608100 0.83 GAA (0.43) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL8606822 0.82 GAA (0.52) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL8606890 0.82 GAA (0.66) GAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL7102142 0.82 GAA (0.65) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL7567813 0.82 GAA (0.49) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL30641460 0.82 GAA (0.49) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL8608448 0.81 GAA (0.40) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL7943069 0.81 GAA (0.53) GAAKMT2ANR5A2NR5A1MEN1

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-5847187-A Organic phosphorous compound, a process for producing the same and a use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-12-08 US disclosed