SCHEMBL860292

SCHEMBL860292

C[C@]1(F)[C@@H](c2c[nH]c(=O)[nH]c2=O)O[C@H](CO)[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDA P32320 8/20 0.33
▸ GAA P10253 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ATAD2 Q6PL18 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HBB P68871 1/20 0.32
▸ PMP22 Q01453 1/20 0.32
▸ PYGM P11217 1/20 0.30
▸ PNP P00491 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
SCHEMBL766452 0.86 CDA (0.36) CDAGAAMAPTLMNASMN1; SMN2
SCHEMBL30504020 0.86 GAA (0.33) GAAMAPTATAD2ALDH1A1
SCHEMBL31544543 0.80 GAA (0.31) GAAMAPTATAD2ALDH1A1
SCHEMBL15533724 0.80 GAA (0.32) CDAGAAMAPTLMNASMN1; SMN2
SCHEMBL15810662 0.76 GAA (0.35) GAAMAPTLMNASMN1; SMN2ATAD2
SCHEMBL15740124 0.73 PNP (0.45) GAAMAPTLMNASMN1; SMN2ATAD2
SCHEMBL774016 0.71 PNP (0.44) MAPTLMNASMN1; SMN2TSHRPMP22
SCHEMBL10226283 0.71 PNP (0.44) MAPTLMNASMN1; SMN2TSHRPMP22
SCHEMBL64635 0.71 PNP (0.44) MAPTLMNASMN1; SMN2TSHRPMP22
SCHEMBL21847661 0.71 PNP (0.44) MAPTLMNASMN1; SMN2TSHRPMP22

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-2432792-A1 N- [ (2 ' R) -2 ' -DEOXY-2 ' -FLUORO-2 ' -METHYL-P-PHENYL-5 ' -URIDYLYL]-L-ALANINE 1-METHYLETHYL ESTER AND PROCESS FOR ITS PRODUCTION Pharmasset, Inc. (US) 2012-03-28 — — EP disclosed
WO-2010135569-A1 N- [ (2 ' R) -2 ' -DEOXY-2 ' -FLUORO-2 ' -METHYL-P-PHENYL-5 ' -URIDYLYL] -L-ALANINE 1-METHYLETHYL ESTER AND PROCESS FOR ITS PRODUCTION PHARMASSET, INC. (US) 2010-11-25 — — WO disclosed
Send feedback