SCHEMBL6830383

SCHEMBL6830383

CC(C)(C)OC(=O)NC[C@@H](C(=O)N(CCc1ccc(O)cc1)C(N)=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.40
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
KCNH2 Q12809 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL6830780 0.92 ALDH1A1 (0.43) MMP2PPARGPPARAALDH1A1MAPT
SCHEMBL6831635 0.83 PTPRB (0.40)
SCHEMBL6830382 0.82 CTSS (0.47) PPARGPPARA
SCHEMBL6830385 0.80 MMP2 (0.45) MMP2PPARGPPARAKMT2ANPC1
SCHEMBL6830538 0.79 NPC1 (0.44) MMP2PPARGPPARAALDH1A1KDM4E
SCHEMBL20474086 0.79 NPC1 (0.46) PPARGPPARAALDH1A1MAPTKDM4E
SCHEMBL1287150 0.79 NPC1 (0.46) PPARGPPARAALDH1A1MAPTKDM4E
SCHEMBL6830389 0.76 NPC1 (0.52) MMP2ALDH1A1MAPTKDM4EUSP2
SCHEMBL1287149 0.75 KCNH2 (0.46) PPARGPPARAALDH1A1MAPTLMNA
SCHEMBL6830779 0.75 PPARG (0.49) PPARGPPARAKMT2ANPC1

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