SCHEMBL8006592

SCHEMBL8006592

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
APAF1 O14727 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
HSP90B1 P14625 1/20 0.36
TRAP1 Q12931 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
ACACB O00763 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL8006594 0.87 MAOA (0.37) KMT2AMEN1APAF1LMNAL3MBTL1
Acetic Acid SCHEMBL1176753 0.87 L3MBTL1 (0.43) KMT2AMEN1APAF1LMNAL3MBTL1
SCHEMBL171010 0.86 MAOA (0.48) KMT2AMEN1APAF1LMNAL3MBTL1
Benzoic Acid SCHEMBL1723033 0.83 MRGPRX4 (0.47) KMT2AMEN1APAF1LMNAL3MBTL1
Methyl Benzoate SCHEMBL8468464 0.81 TSHR (0.43) KMT2AMEN1L3MBTL1HSP90B1TRAP1
SCHEMBL28207675 0.80 MAOA (0.42) KMT2AMEN1LMNAMAOAMAOB
SCHEMBL20819814 0.79 MAOA (0.41) KMT2AMEN1L3MBTL1MAOAMAOB
SCHEMBL7559262 0.77 LMNA (0.43) KMT2AMEN1LMNAMAOAMAOB
SCHEMBL28671388 0.76 MAOA (0.46) KMT2AMEN1LMNAMAOAMAOB
SCHEMBL4745471 0.76 CXCR5 (0.42) KMT2AMEN1APAF1LMNAL3MBTL1

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