SCHEMBL8345169

SCHEMBL8345169

Cc1cccc(C)c1NC(=O)C(NC(=O)OC(C)(C)C)c1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
S1PR3 Q99500 3/20 0.46
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
LCK P06239 2/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
FPR1 P21462 1/20 0.38
S1PR1 P21453 1/20 0.36

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
SCHEMBL8346970 0.83 CTSS (0.60) S1PR3CTSSCTSKTSHRHSD17B10
SCHEMBL14551912 0.80 S1PR3 (0.47) S1PR3CTSSCTSK
SCHEMBL8328193 0.76 CTSS (0.55) S1PR3CTSSCTSKLCKMEN1
SCHEMBL8337687 0.76 CTSS (0.57) HTTSMN1; SMN2S1PR3CTSSCTSK
SCHEMBL8337684 0.76 CTSS (0.54) S1PR3CTSSCTSKMEN1THRB
SCHEMBL2839359 0.75 S1PR3 (0.44) LMNAHTTSMN1; SMN2NPSR1S1PR3
SCHEMBL30371015 0.75 S1PR3 (0.46) S1PR3CTSSCTSK
SCHEMBL20588318 0.75 S1PR3 (0.46) S1PR3CTSSCTSK
SCHEMBL6713811 0.74 LMNA (0.54) LMNAHTTSMN1; SMN2NPSR1MEN1
SCHEMBL6716913 0.74 ALDH1A1 (0.47) LMNAHTTSMN1; SMN2NPSR1KMT2A

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-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed