SCHEMBL27520138

SCHEMBL27520138

CC(C(=O)O)c1ccccc1Oc1ccccc1.[CaH2]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.53
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PTGS2 P35354 2/20 0.47
POLB P06746 1/20 0.47
CTNNB1 P35222 1/20 0.46
TSPO P30536 2/20 0.45
HTR2A P28223 2/20 0.44
SLC6A4 P31645 2/20 0.44
HTT P42858 1/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42
MMP12 P39900 2/20 0.42
MMP13 P45452 2/20 0.42
MMP14 P50281 2/20 0.42
MMP16 P51512 2/20 0.42
MMP3 P08254 1/20 0.42
KMT2A Q03164 2/20 0.41
CXCL8 P10145 1/20 0.41

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
SCHEMBL3817959 0.98 PTGS1 (0.54) PTGS1LMNAL3MBTL1PTGS2POLB
SCHEMBL8875079 0.98 PTGS1 (0.54) PTGS1LMNAL3MBTL1PTGS2POLB
SCHEMBL1345669 0.98 PTGS1 (0.54) PTGS1LMNAL3MBTL1PTGS2POLB
SCHEMBL27638955 0.89 LTA4H (0.47) PTGS1LMNAL3MBTL1PTGS2POLB
SCHEMBL11826285 0.87 HTR2A (0.60) PTGS1L3MBTL1PTGS2HTR2ASLC6A4
SCHEMBL10956995 0.87 PTGS1 (0.44) PTGS1LMNAL3MBTL1PTGS2POLB
SCHEMBL1685873 0.85 CTNNB1 (0.53) PTGS1LMNAL3MBTL1POLBCTNNB1
SCHEMBL11191908 0.84 PTGS1 (0.51) PTGS1LMNAL3MBTL1PTGS2POLB
SCHEMBL10937637 0.83 LMNA (0.51) PTGS1LMNAL3MBTL1PTGS2POLB
SCHEMBL28580702 0.82 PTGS2 (0.55) PTGS1LMNAPTGS2MMP2MMP9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1315856-A Therapeutic methods employing disulfide derivatives of dithiocarbamates and compositions useful therefor MEDINOX INC (US) 2001-10-03 CN disclosed
CN-1230178-A Polydithiocarbamate-containing macromolecules and use thereof for therapeutic and diagnostic applications MEDINOX INC (US) 1999-09-29 CN disclosed
CN-1228697-A Method for in vivo reduction of iron levels and compositions useful therefor MEDINOX INC (US) 1999-09-15 CN disclosed