SCHEMBL4574002

SCHEMBL4574002

CN(CC(N)C(C)(C)C)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
PER2 O15055 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CRY1 Q16526 1/20 0.32
CRY2 Q49AN0 1/20 0.32

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
SCHEMBL8089410 1.00 MEN1 (0.34) MEN1KMT2AMMP1MMP2MMP8
SCHEMBL8295150 0.83
SCHEMBL8054410 0.81
SCHEMBL8036824 0.81
SCHEMBL13272872 0.78 MMP1 (0.32) MMP1MMP2MMP8MMP13
SCHEMBL14613751 0.76 MMP1 (0.36) MEN1KMT2AMMP1MMP2MMP8
SCHEMBL8279593 0.75 MEN1 (0.32) MEN1KMT2AMMP1MMP2MMP8
SCHEMBL15491270 0.74 MMP1 (0.35) MEN1KMT2AMMP1MMP2MMP8
SCHEMBL8271464 0.74 MMP1 (0.33) MEN1KMT2AMMP1MMP2MMP8
SCHEMBL12040047 0.72 MEN1 (0.33) MEN1KMT2AMMP1MMP2MMP8

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-2008070358-A2 N-CYCLOPROPYL-HYDROXYPROLINE-BASED TRIPEPTIDIC HEPATITIS C SERINE PROTEASE INHIBITORS CONTAINING AN ISOINDOLE, PYRROLOPYRIDINE, PYRROLOPYRIMIDINE OR PYRROLOPYRAZINE HETEROCYCLE IN THE SIDE CHAIN PHENOMIX CORPORATION (US) 2008-06-12 WO disclosed