SCHEMBL8606502

SCHEMBL8606502

CC(CN)NC(=O)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.39
NR5A1 Q13285 1/20 0.39
GAA P10253 4/20 0.37
ALDH1A1 P00352 2/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP2C19 P33261 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HSP90AA1 P07900 1/20 0.35
CYP2D6 P10635 1/20 0.35
HSPA5 P11021 2/20 0.34
HIF1A Q16665 2/20 0.33
ALOX5 P09917 2/20 0.33
PTGS2 P35354 2/20 0.33
TDP1 Q9NUW8 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
SCHEMBL8606817 0.87 HSPA5 (0.50) GAAALDH1A1CYP2C19CYP1A2CYP2C9
SCHEMBL8606264 0.87 NR5A2 (0.32) NR5A2NR5A1GAAALDH1A1HTT
SCHEMBL8608862 0.82 GAA (0.36) NR5A2NR5A1GAAALDH1A1CYP2C19
SCHEMBL8606831 0.81 GAA (0.50) GAAALDH1A1MAPK1HTTNPSR1
SCHEMBL8607704 0.81 CA2 (0.41) ALDH1A1NPSR1CYP1A2ANO1KMT2A
SCHEMBL8606505 0.80 NR5A2 (0.41) NR5A2NR5A1GAAALDH1A1XBP1
SCHEMBL8609754 0.79 NR5A2 (0.55) NR5A2NR5A1GAAALDH1A1HTT
SCHEMBL8606003 0.79 NR5A2 (0.46) NR5A2NR5A1GAAALDH1A1XBP1
SCHEMBL8606507 0.77 NR5A2 (0.50) NR5A2NR5A1GAAALDH1A1XBP1
SCHEMBL8608397 0.77 GAA (0.43) GAAALDH1A1MAPK1NPSR1CYP2C19

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