SCHEMBL6830780

SCHEMBL6830780

CC(C)(C)OC(=O)NC[C@@H](C(=O)N(CCc1ccccc1)C(N)=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
MMP2 P08253 1/20 0.39
SYK P43405 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
CTSK P43235 3/20 0.38
MAPT P10636 2/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CTSS P25774 1/20 0.36

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
SCHEMBL6830383 0.92 MMP2 (0.40) ALDH1A1MMP2NPC1PPARGPPARA
SCHEMBL6830389 0.84 NPC1 (0.52) ALDH1A1MMP2NPC1RAB9ASMN1; SMN2
SCHEMBL6831607 0.83 CRHBP (0.47) ALDH1A1MMP2SYKSMN1; SMN2PPARG
SCHEMBL6830779 0.81 PPARG (0.49) NPC1RAB9ASMN1; SMN2PPARGPPARA
SCHEMBL6830538 0.80 NPC1 (0.44) ALDH1A1MMP2NPC1PPARGPPARA
SCHEMBL20474086 0.79 NPC1 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2PPARG
SCHEMBL1287150 0.79 NPC1 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2PPARG
SCHEMBL6832690 0.79 GAA (0.48) ALDH1A1MMP2SYKPPARGPPARA
SCHEMBL6827929 0.79 GAA (0.48) ALDH1A1MMP2SYKPPARGPPARA
SCHEMBL6830381 0.79 ALDH1A1 (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2TAAR1

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