SCHEMBL18312468

SCHEMBL18312468

CCO[C@@H](C)CN(C)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PER2 O15055 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 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
SCHEMBL16918278 0.80 LMNA (0.36) MMP1MMP2MMP8MMP13LMNA
SCHEMBL18312581 0.78 MMP1 (0.36) MMP1MMP2MMP8MMP13MEN1
SCHEMBL18312771 0.78 MMP1 (0.36) MMP1MMP2MMP8MMP13MEN1
SCHEMBL18215561 0.78 MEN1 (0.32) MMP1MMP2MMP8MMP13MEN1
SCHEMBL15384954 0.77 MMP1 (0.35) MMP1MMP2MMP8MMP13MEN1
SCHEMBL18312784 0.77 MMP1 (0.35) MMP1MMP2MMP8MMP13MEN1
SCHEMBL1097900 0.74
SCHEMBL16918026 0.73
SCHEMBL6755694 0.72 MMP1 (0.43) MMP1MMP2MMP8MMP13LMNA
SCHEMBL15354729 0.71 MEN1 (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016201225-A1 ARYL DIHYDRO-2H-BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2016-12-15 WO disclosed