SCHEMBL7415465

SCHEMBL7415465

COC(=O)[C@@H](O)[C@@H](N)Cc1ccc(O)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.67
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
LAP3 P28838 1/20 0.51
MIF P14174 1/20 0.50
TAAR1 Q96RJ0 3/20 0.49
SLC7A5 Q01650 1/20 0.49
SLC6A2 P23975 1/20 0.49
ERAP2 Q6P179 4/20 0.48
IL1RN P18510 2/20 0.48
ERAP1 Q9NZ08 1/20 0.47
LNPEP Q9UIQ6 3/20 0.47
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL7960649 1.00 LTA4H (0.67) LTA4HESR1ESR2LAP3MIF
SCHEMBL741541 0.86 LTA4H (0.61) LTA4HESR1ESR2LAP3KMT2A
SCHEMBL762691 0.86 LTA4H (0.61) LTA4HESR1ESR2LAP3KMT2A
SCHEMBL7961571 0.86 LTA4H (0.69) LTA4HLAP3
SCHEMBL7417389 0.86 LTA4H (0.53) LTA4HESR1ESR2LAP3TAAR1
SCHEMBL741542 0.86 LTA4H (0.61) LTA4HESR1ESR2LAP3KMT2A
SCHEMBL2606756 0.85 LTA4H (0.77) LTA4HLAP3SLC7A5KMT2A
SCHEMBL8174333 0.85 LTA4H (0.77) LTA4HLAP3SLC7A5KMT2A
SCHEMBL6339522 0.85 LTA4H (0.77) LTA4HLAP3SLC7A5KMT2A
SCHEMBL7964844 0.85 LTA4H (0.77) LTA4HLAP3SLC7A5KMT2A

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
WO-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 WO disclosed