SCHEMBL18312488

SCHEMBL18312488

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRY1 Q16526 6/20 0.44
CRY2 Q49AN0 6/20 0.44
PER2 O15055 5/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL17055854 0.83 CRY1 (0.46) CRY1CRY2PER2ALDH1A1MEN1
SCHEMBL12376988 0.83 CRY1 (0.46) CRY1CRY2PER2ALDH1A1MEN1
SCHEMBL26471765 0.83 CRY1 (0.46) CRY1CRY2PER2ALDH1A1MEN1
SCHEMBL15627010 0.78 CRY1 (0.46) CRY1CRY2PER2ALDH1A1MEN1
SCHEMBL18312162 0.74 CRY1 (0.38) CRY1CRY2PER2ALDH1A1MEN1
SCHEMBL18312607 0.73 MEN1 (0.43) CRY1CRY2PER2ALDH1A1MEN1
SCHEMBL10510602 0.73 MEN1 (0.43) CRY1CRY2PER2ALDH1A1MEN1
SCHEMBL2867976 0.72
SCHEMBL25809976 0.72
SCHEMBL18312549 0.72 MEN1 (0.31) MEN1KMT2A

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