SCHEMBL8892841

SCHEMBL8892841

COc1ccc(CC(N)C(O)CC(Cc2ccc(O)cc2)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.51
PPARG P37231 2/20 0.46
SLC7A5 Q01650 1/20 0.46
KMT2A Q03164 1/20 0.45
LTA4H P09960 1/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
SLC6A4 P31645 1/20 0.43
ANPEP P15144 3/20 0.43
ERAP2 Q6P179 3/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
CALM1 P0DP23 1/20 0.42
REN P00797 1/20 0.42
ERAP1 Q9NZ08 2/20 0.42
LAP3 P28838 1/20 0.42
ENPEP Q07075 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
SCHEMBL8892836 1.00 LDHA (0.51) LDHAPPARGSLC7A5KMT2ALTA4H
SCHEMBL8891774 0.95 LDHA (0.56) LDHAPPARGKMT2ALTA4HSLC6A4
SCHEMBL8891766 0.95 LDHA (0.56) LDHAPPARGKMT2ALTA4HSLC6A4
SCHEMBL8893679 0.91 SLC1A3 (0.54) LDHAPPARGKMT2ALTA4HANPEP
SCHEMBL8893674 0.91 SLC1A3 (0.54) LDHAPPARGKMT2ALTA4HANPEP
SCHEMBL7439269 0.91 SLC1A3 (0.54) LDHAPPARGKMT2ALTA4HANPEP
SCHEMBL7439274 0.91 SLC1A3 (0.54) LDHAPPARGKMT2ALTA4HANPEP
SCHEMBL7436920 0.89 SLC7A5 (0.56) SLC7A5ANPEPERAP2SLC1A3SLC1A2
SCHEMBL7436928 0.89 SLC7A5 (0.56) SLC7A5ANPEPERAP2SLC1A3SLC1A2
SCHEMBL8893453 0.87 LTA4H (0.61) LDHAPPARGLTA4HANPEPERAP2

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