SCHEMBL8894863

SCHEMBL8894863

CC(C)COc1ccc(CC(CC(O)C(N)Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.52
LTA4H P09960 2/20 0.49
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
KDM4E B2RXH2 1/20 0.48
LAP3 P28838 1/20 0.48
ANPEP P15144 1/20 0.48
RNPEP Q9H4A4 1/20 0.48
DNPEP Q9ULA0 1/20 0.48
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
KMT2A Q03164 1/20 0.45
MME P08473 2/20 0.43
CYP1A2 P05177 1/20 0.43
ACACB O00763 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
SCHEMBL8894868 1.00 REN (0.52) RENLTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL8892865 0.87 LTA4H (0.64) RENLTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL8892421 0.87 LTA4H (0.64) RENLTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL8892764 0.87 LTA4H (0.64) RENLTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL8892768 0.87 LTA4H (0.64) RENLTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL8892873 0.87 LTA4H (0.64) RENLTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL8892426 0.87 LTA4H (0.64) RENLTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL7439274 0.85 SLC1A3 (0.54) RENLTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL8893679 0.85 SLC1A3 (0.54) RENLTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL7439269 0.85 SLC1A3 (0.54) RENLTA4HSLC1A3SLC1A2SLC1A1

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