SCHEMBL5347271

SCHEMBL5347271

CC(C)CNC(=O)C1(NC(=O)OCc2ccccc2)CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.57
CTSL P07711 5/20 0.57
CTSB P07858 4/20 0.57
TLR2 O60603 2/20 0.51
CTSK P43235 5/20 0.45
ATM Q13315 1/20 0.42
MMP1 P03956 1/20 0.41
MMP13 P45452 1/20 0.41
CYP1A2 P05177 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL24736349 0.85 CTSS (0.57) CTSSCTSLCTSBTLR2CTSK
SCHEMBL8234255 0.82 CTSS (0.53) CTSSCTSLCTSBCTSKMMP1
SCHEMBL2704426 0.82 CTSS (0.52) CTSSCTSLCTSBCTSKATM
SCHEMBL20179421 0.77 CTSS (0.50) CTSSCTSLCTSBCTSKATM
SCHEMBL9293928 0.76 LMNA (0.59) CTSSCTSLCTSBCTSKHSD17B10
SCHEMBL7943021 0.75 CTSS (0.57) CTSSCTSLCTSBTLR2CTSK
SCHEMBL6181261 0.75 CTSS (0.89) CTSSCTSLCTSBCTSK
SCHEMBL10239127 0.75 CTSL (0.47) CTSSCTSLCTSBATM
SCHEMBL1508888 0.74 CTSS (0.56) CTSSCTSLCTSBTLR2CTSK
SCHEMBL1508675 0.74 CTSS (0.56) CTSSCTSLCTSBTLR2CTSK

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
WO-2007110727-A2 AMIDE STABILIZED HYDROXYETHYLAMINES PFIZER PRODUCTS INC. (US) 2007-10-04 WO disclosed
WO-2007110727-A2 AMIDE STABILIZED HYDROXYETHYLAMINES PFIZER PRODUCTS INC. (US) 2007-10-04 WO disclosed