SCHEMBL8893679

SCHEMBL8893679

COc1ccc(C[C@H](N)[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.54
SLC1A2 P43004 1/20 0.54
SLC1A1 P43005 1/20 0.54
LDHA P00338 1/20 0.52
PPARG P37231 2/20 0.52
PPARA Q07869 1/20 0.52
ANPEP P15144 2/20 0.51
ERAP2 Q6P179 1/20 0.51
LTA4H P09960 2/20 0.50
REN P00797 1/20 0.47
CYP1A2 P05177 1/20 0.47
LAP3 P28838 1/20 0.46
RNPEP Q9H4A4 1/20 0.46
DNPEP Q9ULA0 1/20 0.46
KMT2A Q03164 2/20 0.46
FPR2 P25090 1/20 0.45

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
SCHEMBL7439274 1.00 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1LDHAPPARG
SCHEMBL7439269 1.00 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1LDHAPPARG
SCHEMBL8893674 1.00 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1LDHAPPARG
SCHEMBL8891774 0.96 LDHA (0.56) SLC1A3SLC1A2SLC1A1LDHAPPARG
SCHEMBL8891766 0.96 LDHA (0.56) SLC1A3SLC1A2SLC1A1LDHAPPARG
SCHEMBL8893456 0.93 LTA4H (0.61) SLC1A3SLC1A2SLC1A1LDHAPPARG
SCHEMBL8893453 0.93 LTA4H (0.61) SLC1A3SLC1A2SLC1A1LDHAPPARG
SCHEMBL8895252 0.92 TAAR1 (0.49) SLC1A3SLC1A2SLC1A1LDHAPPARG
SCHEMBL8895260 0.92 TAAR1 (0.49) SLC1A3SLC1A2SLC1A1LDHAPPARG
SCHEMBL8892841 0.91 LDHA (0.51) SLC1A3SLC1A2SLC1A1LDHAPPARG

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-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed