SCHEMBL6830385

SCHEMBL6830385

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.45
NPC1 O15118 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
ALOX5 P09917 1/20 0.36
GAA P10253 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CYP19A1 P11511 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6830781 0.92 MEN1 (0.48) MMP2NPC1KMT2AMEN1PPARG
SCHEMBL20474086 0.92 NPC1 (0.46) NPC1KMT2AMEN1PPARGPPARA
SCHEMBL1287150 0.92 NPC1 (0.46) NPC1KMT2AMEN1PPARGPPARA
SCHEMBL6831591 0.84 NPC1 (0.45) MMP2NPC1KMT2AMEN1PPARG
SCHEMBL7367395 0.83 NPC1 (0.47) NPC1KMT2AMEN1PPARGPPARA
SCHEMBL5523207 0.82 CTSS (0.50) CTSSCTSK
SCHEMBL6830751 0.81 KMT2A (0.43) NPC1KMT2AMEN1PPARGPPARA
SCHEMBL6831637 0.81 PTPRB (0.40) CTSSCTSK
SCHEMBL6827929 0.80 GAA (0.48) MMP2KMT2AMEN1PPARGPPARA
SCHEMBL6832690 0.80 GAA (0.48) MMP2KMT2AMEN1PPARGPPARA

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