SCHEMBL9536355

SCHEMBL9536355

CC(C)(C)OC(=O)NCCC(C=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
CTSK P43235 3/20 0.47
CTSS P25774 1/20 0.47
MALT1 Q9UDY8 1/20 0.46
IDO1 P14902 1/20 0.46
KCNA5 P22460 1/20 0.44
GPR88 Q9GZN0 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
MAPT P10636 1/20 0.42
BCHE P06276 1/20 0.42
SYK P43405 1/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL5808816 0.92 MEN1 (0.56) MEN1GAAKMT2ACTSKCTSS
SCHEMBL1760153 0.87 NPC1 (0.44) MEN1GAAKMT2ACTSKCTSS
SCHEMBL3648358 0.86 CTSK (0.49) MEN1GAAKMT2ACTSKCTSS
SCHEMBL20014854 0.84 MTNR1A (0.61) MEN1GAAKMT2ACTSKCTSS
SCHEMBL16084764 0.82 RIPK1 (0.53) MEN1GAAKMT2ACTSKCTSS
SCHEMBL1521024 0.82 RIPK1 (0.53) MEN1GAAKMT2ACTSKCTSS
SCHEMBL4583816 0.81 MEN1 (0.54) MEN1GAAKMT2ACTSKCTSS
SCHEMBL10318441 0.81 MEN1 (0.50) MEN1GAAKMT2ACTSKCTSS
SCHEMBL10317783 0.81 MEN1 (0.50) MEN1GAAKMT2ACTSKCTSS
SCHEMBL10317785 0.81 MEN1 (0.50) MEN1GAAKMT2ACTSKCTSS

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
EP-0532693-A1 1,4-DIAMINO-2,3-DIHYDROXYBUTANES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-24 EP disclosed