SCHEMBL6830781

SCHEMBL6830781

CC(C)(C)OC(=O)NC[C@@H](C(=O)NCC(C(N)=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MMP2 P08253 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
NPC1 O15118 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SYK P43405 1/20 0.39
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38

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
SCHEMBL6830385 0.92 MMP2 (0.45) MEN1KMT2AMMP2CTSSCTSK
SCHEMBL20474086 0.92 NPC1 (0.46) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL1287150 0.92 NPC1 (0.46) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL6827929 0.87 GAA (0.48) MEN1KMT2ACNR1CNR2MMP2
SCHEMBL6832690 0.87 GAA (0.48) MEN1KMT2ACNR1CNR2MMP2
SCHEMBL5669913 0.84 CTSK (0.49) MAPTCTSSCTSKSYK
SCHEMBL5523207 0.84 CTSS (0.50) CTSSCTSK
SCHEMBL6831591 0.84 NPC1 (0.45) MEN1KMT2AMMP2ALDH1A1MAPT
SCHEMBL7367395 0.83 NPC1 (0.47) MEN1KMT2AALDH1A1NPC1PPARG
SCHEMBL6830381 0.82 ALDH1A1 (0.59) KMT2ACNR1CNR2ALDH1A1MAPT

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