SCHEMBL8608100

SCHEMBL8608100

Cc1c(CCC(=O)NCC(C)N)cc(C(C)(C)C)c(O)c1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.36
MAOB P27338 2/20 0.33
MAPT P10636 1/20 0.33
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
NR5A2 O00482 1/20 0.32
NR5A1 Q13285 1/20 0.32
HSPA5 P11021 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
AGTR1 P30556 1/20 0.31
HTT P42858 1/20 0.31
ADAM17 P78536 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL8608864 0.88 GAA (0.36) GAAKMT2ANR5A2NR5A1HSPA5
SCHEMBL8609736 0.85 KMT2A (0.33) GAAKMT2AMEN1MAPTLMNA
SCHEMBL8608262 0.83 GAA (0.44) GAAKMT2AMEN1MAOBMAPT
SCHEMBL8606826 0.83 GAA (0.50) GAAKMT2AMEN1MAOBMAOA
SCHEMBL8607245 0.83 HSPA5 (0.48) GAAKMT2AMEN1MAOBMAPT
SCHEMBL8608103 0.81 GAA (0.48) GAAKMT2AMEN1MAOBMAPT
SCHEMBL8605766 0.81 NR5A2 (0.39) GAAKMT2AMEN1NR5A2NR5A1
SCHEMBL8606890 0.80 GAA (0.66) GAAKMT2AMEN1MAOBMAPT
SCHEMBL8634577 0.79 GAA (0.56) GAAKMT2AMEN1MAOBMAOA
SCHEMBL8608106 0.78 GAA (0.43) GAAKMT2AMEN1MAOBMAOA

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