SCHEMBL8156771

SCHEMBL8156771

CCCC(=O)CC(=O)CCS

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.44
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
HDAC3 O15379 4/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
HAO1 Q9UJM8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
FFAR3 O14843 3/20 0.39
CTSD P07339 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CASP2 P42575 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KDM6B O15054 1/20 0.32
KDM5C P41229 1/20 0.32
EGLN1 Q9GZT9 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
SCHEMBL474040 0.89
SCHEMBL14503187 0.86 ACE (0.55) ACEHAO1TSHRKDM4EKDM6B
SCHEMBL1701664 0.86 CES2 (0.53) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL3126473 0.83 CES2 (0.50) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL5667473 0.83 CES2 (0.50) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL11434918 0.83 CES2 (0.50) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL29053185 0.83 CES2 (0.50) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL534886 0.81 CES1 (0.52) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL8101925 0.80 CES2 (0.47) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL5273375 0.79 HAO1 (0.61) CES2CES1HAO1TSHRALDH1A1

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-0824763-B1 POLYMER ELECTROLYTE COMPOSITION BASED UPON THIOL-ENE CHEMISTRY MINNESOTA MINING & MFG (US) 2000-06-14 EP disclosed
EP-0824763-A1 POLYMER ELECTROLYTE COMPOSITION BASED UPON THIOL-ENE CHEMISTRY MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-02-25 EP disclosed
WO-1996035238-A1 POLYMER ELECTROLYTE COMPOSITION BASED UPON THIOL-ENE CHEMISTRY MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-11-07 WO disclosed