SCHEMBL8006594

SCHEMBL8006594

CC(O)C(O)=S.CCOc1cccc2c1Cc1ccccc1O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
GLA P06280 1/20 0.34
MEN1 O00255 1/20 0.34
APAF1 O14727 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX15 P16050 1/20 0.33
MAPT P10636 3/20 0.33
TP53 P04637 1/20 0.33
HSP90B1 P14625 1/20 0.33
TRAP1 Q12931 1/20 0.33
GAA P10253 1/20 0.33
ACACB O00763 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NOD2 Q9HC29 1/20 0.32

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
SCHEMBL171010 0.87 MAOA (0.48) MAOAMAOBALDH1A1L3MBTL1GLA
SCHEMBL8006592 0.87 KMT2A (0.38) MAOAMAOBALDH1A1HPGDL3MBTL1
Acetic Acid SCHEMBL1176753 0.85 L3MBTL1 (0.43) MAOAMAOBALDH1A1HPGDL3MBTL1
Benzoic Acid SCHEMBL1723033 0.82 MRGPRX4 (0.47) MAOAMAOBALDH1A1HPGDL3MBTL1
Methyl Benzoate SCHEMBL8468464 0.79 TSHR (0.43) ALDH1A1L3MBTL1GLAMEN1KMT2A
SCHEMBL28207675 0.76 MAOA (0.42) MAOAMAOBMEN1LMNAKMT2A
SCHEMBL20819814 0.75 MAOA (0.41) MAOAMAOBALDH1A1HPGDHSD17B10
SCHEMBL9955011 0.75 CYP1A2 (0.49) MAOAMAOBMEN1LMNAKMT2A
Pantothenic Acid, Racemic SCHEMBL28945742 0.74 VNN1 (0.47) NPSR1
SCHEMBL4745471 0.74 CXCR5 (0.42) MAOAMAOBALDH1A1HPGDHSD17B10

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
EP-1011609-A4 COMPOSITIONS FOR COSMETIC APPLICATIONS MEDLOGIC GLOBAL CORP (US) 2000-08-16 EP disclosed
EP-1011609-A1 COMPOSITIONS FOR COSMETIC APPLICATIONS MedLogic Global Corporation (US) 2000-06-28 EP disclosed
WO-1998050005-A1 COMPOSITIONS FOR COSMETIC APPLICATIONS MEDLOGIC GLOBAL CORPORATION (US) 1998-11-12 WO disclosed