SCHEMBL19391968

SCHEMBL19391968

CC[C@H]1O[C@@H](O)[C@@H](C)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS9 O00182 4/20 0.48
LGALS1 P09382 4/20 0.48
LGALS3 P17931 4/20 0.48
LGALS7; LGALS7B P47929 3/20 0.48
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
PTPN1 P18031 3/20 0.39
SELP P16109 3/20 0.38
TSHR P16473 1/20 0.38
LGALS8 O00214 2/20 0.37
GAA P10253 1/20 0.37
BCHE P06276 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
CHRNA7 P36544 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 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
SCHEMBL16769153 0.89 LGALS9 (0.48) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL16769133 0.89 LGALS9 (0.48) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL20059184 0.86 POLB (0.53) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL19506711 0.83 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL18510855 0.82 LGALS9 (0.47) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL17320700 0.82 LGALS9 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL12747029 0.82 LGALS9 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL18874981 0.82 LGALS9 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL12150955 0.82 LGALS9 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL25552628 0.81 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA

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
EP-3222628-A1 NUCLEOSIDE PHOSPHORAMIDATES Gilead Pharmasset LLC (US) 2017-09-27 EP disclosed