SCHEMBL748437

SCHEMBL748437

CC[C@](C)(NC(=O)OC)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.39
KDM4C Q9H3R0 1/20 0.34
CTSS P25774 3/20 0.33
CTSK P43235 3/20 0.33
EPHX1 P07099 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
PIK3CD O00329 1/20 0.31
FPR2 P25090 1/20 0.31
GAA P10253 2/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
ERAP1 Q9NZ08 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ENPEP Q07075 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
SCHEMBL1979479 0.83 CTSK (0.45) TSHRSMN1; SMN2NAALAD2CTSSCTSK
SCHEMBL1979477 0.83 CTSK (0.45) TSHRSMN1; SMN2NAALAD2CTSSCTSK
SCHEMBL28787095 0.83 TSHR (0.45) TSHRSMN1; SMN2NAALAD2GAAMGAM
SCHEMBL752505 0.83 NAALAD2 (0.46) TSHRSMN1; SMN2NAALAD2KDM4CCTSS
SCHEMBL2837383 0.83 CTSK (0.45) TSHRSMN1; SMN2NAALAD2CTSSCTSK
SCHEMBL751175 0.83 TSHR (0.39) TSHRSMN1; SMN2NAALAD2KDM4CCTSS
SCHEMBL12987008 0.80 TSHR (0.40) TSHRSMN1; SMN2NAALAD2KDM4CCTSS
SCHEMBL13544391 0.77 NAALAD2 (0.47) TSHRSMN1; SMN2NAALAD2KDM4CEPHX1
SCHEMBL5607969 0.77 NAALAD2 (0.47) TSHRSMN1; SMN2NAALAD2KDM4CEPHX1
SCHEMBL13209005 0.76 TSHR (0.45) TSHRSMN1; SMN2NAALAD2KDM4CCA1

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-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed