SCHEMBL751175

SCHEMBL751175

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.34
CTSS P25774 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
KDM4C Q9H3R0 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL28787095 0.83 TSHR (0.45) TSHRSMN1; SMN2NAALAD2MAPT
SCHEMBL748437 0.83 TSHR (0.44) TSHRSMN1; SMN2NAALAD2CTSSCA1
SCHEMBL12987008 0.80 TSHR (0.40) TSHRSMN1; SMN2NAALAD2CTSSKDM4C
SCHEMBL23300631 0.77 TSHR (0.33) TSHRSMN1; SMN2MAPT
SCHEMBL2837383 0.76 CTSK (0.45) TSHRSMN1; SMN2NAALAD2CTSSCA1
SCHEMBL1979477 0.76 CTSK (0.45) TSHRSMN1; SMN2NAALAD2CTSSCA1
SCHEMBL1979479 0.76 CTSK (0.45) TSHRSMN1; SMN2NAALAD2CTSSCA1
SCHEMBL5970504 0.72 CTSS (0.57) SMN1; SMN2CTSSCA1CA2
SCHEMBL1150932 0.72 CTSS (0.57) SMN1; SMN2CTSSCA1CA2
SCHEMBL5607969 0.70 NAALAD2 (0.47) TSHRSMN1; SMN2NAALAD2KDM4C

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