SCHEMBL6832690

SCHEMBL6832690

CC(C)(C)OC(=O)NC[C@@H](C(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MMP2 P08253 1/20 0.44
SYK P43405 1/20 0.43
ATM Q13315 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
BCHE P06276 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
CTSK P43235 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 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
SCHEMBL6827929 1.00 GAA (0.48) GAAL3MBTL1CYP2C9CYP2C19ALDH1A1
SCHEMBL6830381 0.87 ALDH1A1 (0.59) CYP2C9CYP2C19ALDH1A1KMT2ACNR1
SCHEMBL6830781 0.87 MEN1 (0.48) ALDH1A1ITGA4ITGB7MEN1KMT2A
SCHEMBL5523207 0.85 CTSS (0.50) CTSK
SCHEMBL6831591 0.85 NPC1 (0.45) GAAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL6831607 0.84 CRHBP (0.47) ALDH1A1ITGA4ITGB7MMP2SYK
SCHEMBL7367395 0.84 NPC1 (0.47) GAAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL5163323 0.83 BCL2 (0.45) ALDH1A1MEN1KMT2AMMP2PPARG
SCHEMBL6830751 0.82 KMT2A (0.43) GAAALDH1A1MEN1KMT2APPARG
SCHEMBL6827667 0.81 MGLL (0.52) ALDH1A1KMT2APPARGPPARACNR1

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
WO-2004074238-A1 PHENETHYLAMINO SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO disclosed