SCHEMBL6830779

SCHEMBL6830779

CC(C)(C)OC(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCc1ccccc1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
CTSS P25774 4/20 0.46
CTSL P07711 4/20 0.46
CTSK P43235 4/20 0.46
CTSB P07858 1/20 0.46
CA2 P00918 1/20 0.46
ACE P12821 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BCL2 P10415 1/20 0.43
REN P00797 1/20 0.43
AKT1 P31749 1/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL6830382 0.93 CTSS (0.47) PPARGPPARAITGA4ITGB7CTSS
SCHEMBL6830387 0.84 RAB9A (0.53) CA2MEN1KMT2ANPC1TP53
SCHEMBL6800878 0.83 PPARA (0.53) PPARGPPARAITGA4ITGB7CTSS
SCHEMBL6800882 0.83 PPARA (0.53) PPARGPPARAITGA4ITGB7CTSS
SCHEMBL6796934 0.83 PPARA (0.49) PPARGPPARAITGA4ITGB7CTSS
SCHEMBL6805054 0.82 PPARG (0.52) PPARGPPARAITGA4ITGB7CTSS
SCHEMBL6805049 0.82 PPARG (0.52) PPARGPPARAITGA4ITGB7CTSS
SCHEMBL6830780 0.81 ALDH1A1 (0.43) PPARGPPARAITGA4ITGB7CTSS
SCHEMBL6808536 0.81 REN (0.63) PPARGPPARAITGA4ITGB7CTSS
SCHEMBL6808534 0.81 REN (0.63) PPARGPPARAITGA4ITGB7CTSS

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