SCHEMBL8634577

SCHEMBL8634577

Cc1cc(CCC(=O)NCC(C)N)cc(C(C)(C)C)c1O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.47
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
AGTR1 P30556 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SELL P14151 1/20 0.36
SELP P16109 1/20 0.36
SELE P16581 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
SCHEMBL8606890 0.92 GAA (0.66) GAAKMT2AMEN1MAOBMAOA
SCHEMBL8608398 0.88 GAA (0.43) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL8606670 0.85 KMT2A (0.44) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL1149855 0.84 GAA (0.72) GAAKMT2AMEN1MAOBMAOA
SCHEMBL8607184 0.82 GAA (0.66) GAAKMT2AMEN1MAOBMAOA
SCHEMBL4569530 0.82 GAA (0.65) GAAKMT2AMEN1MAOBMAOA
SCHEMBL4569532 0.82 GAA (0.73) GAAKMT2AMEN1MAOBMAOA
SCHEMBL4638318 0.82 GAA (0.83) GAAKMT2AMEN1MAOBMAOA
SCHEMBL30209781 0.82 GAA (0.64) GAAKMT2AMEN1MAOBMAOA
SCHEMBL1149226 0.82 GAA (0.64) 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