SCHEMBL8607248

SCHEMBL8607248

Cc1cc(CCC(=O)NCCCN)c(O)c(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.50
KMT2A Q03164 2/20 0.50
HSPA5 P11021 1/20 0.48
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HIF1A Q16665 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2D6 P10635 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
NR5A2 O00482 1/20 0.38
NR5A1 Q13285 1/20 0.38
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
MAOB P27338 1/20 0.37
GSK3B P49841 1/20 0.36

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
SCHEMBL8606401 0.93 GAA (0.52) GAAKMT2AHSPA5CYP2C9CYP2C19
SCHEMBL7943132 0.89 GAA (0.51) GAAKMT2AHSPA5CYP2C9CYP2C19
SCHEMBL8608267 0.88 GAA (0.50) GAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7941152 0.88 GAA (0.50) GAAKMT2AHSPA5CYP2C9CYP2C19
SCHEMBL8606820 0.88 HSPA5 (0.50) GAAKMT2AHSPA5CYP2C9CYP2C19
SCHEMBL7940002 0.87 GAA (0.49) GAAKMT2AHSPA5CYP2C9CYP2C19
SCHEMBL7941083 0.86 GAA (0.53) GAAKMT2AHSPA5CYP2C9CYP2C19
SCHEMBL8607341 0.85 KMT2A (0.39) GAAKMT2AMEN1POLBGSK3B
SCHEMBL8608103 0.83 GAA (0.48) GAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL1720422 0.82 GAA (0.73) GAAKMT2ASMN1; SMN2MEN1ALDH1A1

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