SCHEMBL4459410

SCHEMBL4459410

C[CH]C(C)CN(C)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP8 P22894 2/20 0.36
MMP13 P45452 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PER2 O15055 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33
MMP3 P08254 1/20 0.31

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
SCHEMBL4444854 0.78 MEN1 (0.33) MEN1KMT2A
SCHEMBL6755694 0.75 MMP1 (0.43) MMP1MMP2MMP8MMP13MEN1
SCHEMBL18312607 0.71 MEN1 (0.43) MMP1MMP2MMP8MMP13MEN1
SCHEMBL10510602 0.71 MEN1 (0.43) MMP1MMP2MMP8MMP13MEN1
SCHEMBL15354729 0.70 MEN1 (0.37) MMP1MMP2MMP8MMP13MEN1
SCHEMBL15354753 0.70 MEN1 (0.37) MMP1MMP2MMP8MMP13MEN1
SCHEMBL13674448 0.69 MEN1 (0.39) MMP1MMP2MMP8MMP13MEN1
SCHEMBL14613751 0.68 MMP1 (0.36) MMP1MMP2MMP8MMP13MEN1
SCHEMBL1831392 0.68 MMP1 (0.36) MMP1MMP2MMP8MMP13MEN1
SCHEMBL18312771 0.68 MMP1 (0.36) MMP1MMP2MMP8MMP13MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029153-A2 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR Phenomix Corporation (US) 2009-03-04 EP claimed
WO-2007089618-A2 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2007-08-09 WO claimed