SCHEMBL8607245

SCHEMBL8607245

Cc1cc(CCC(=O)NCC(C)N)c(O)c(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HIF1A Q16665 2/20 0.47
GAA P10253 6/20 0.44
KMT2A Q03164 2/20 0.44
CYP2D6 P10635 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 3/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.34
MAOB P27338 2/20 0.34
CYP1A2 P05177 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL8608262 0.88 GAA (0.44) HSPA5CYP2C9CYP2C19HIF1AGAA
SCHEMBL8606819 0.88 HSPA5 (0.50) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL8607340 0.85 KMT2A (0.36) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL8608100 0.83 GAA (0.43) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL8606401 0.82 GAA (0.52) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL8606890 0.82 GAA (0.66) SMN1; SMN2HIF1AGAAKMT2ACYP2D6
SCHEMBL8608448 0.81 GAA (0.40) GAAKMT2AALDH1A1CA2MEN1
SCHEMBL7941083 0.81 GAA (0.53) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL8634577 0.81 GAA (0.56) SMN1; SMN2CYP2C9CYP2C19GAAKMT2A
SCHEMBL8607248 0.81 GAA (0.50) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A

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