SCHEMBL7876564

SCHEMBL7876564

N[C@@H](CC(=O)O)C(O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.53
GABBR1 Q9UBS5 1/20 0.53
LMNA P02545 3/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2C P18825 1/20 0.50
HIF1A Q16665 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 2/20 0.48
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.43
AOC3 Q16853 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BCAT2 O15382 1/20 0.42

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
SCHEMBL618203 0.82 GABBR2 (0.55) GABBR2GABBR1CYP2C19KMT2ASMN1; SMN2
SCHEMBL618204 0.82 GABBR2 (0.55) GABBR2GABBR1CYP2C19KMT2ASMN1; SMN2
SCHEMBL10022854 0.82 GABBR2 (0.55) GABBR2GABBR1CYP2C19KMT2ASMN1; SMN2
SCHEMBL1667437 0.78 GABBR2 (0.52) GABBR2GABBR1CYP2C19KMT2ASMN1; SMN2
SCHEMBL1666942 0.78 GABBR2 (0.52) GABBR2GABBR1LMNAADRA2AADRA2C
SCHEMBL1669595 0.78 GABBR2 (0.52) GABBR2GABBR1LMNACYP2C19KMT2A
SCHEMBL1667061 0.78 GABBR2 (0.52) GABBR2GABBR1CYP2C19KMT2ASMN1; SMN2
SCHEMBL5144343 0.78 GABBR2 (0.52) GABBR2GABBR1ADRA2AADRA2CCYP2C19
SCHEMBL30864435 0.78 GRM4 (0.48) LMNAKMT2A
SCHEMBL30864434 0.78 GRM4 (0.48) LMNAKMT2A

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
US-6313094-B1 COMPOSITION FOR INHIBITING HUMAN IMMUNODEFICIENCY VIRUS REPLICATION JAPAN ENERGY CORPORATION (JP) 2001-11-06 US disclosed