SCHEMBL6002318

SCHEMBL6002318

O=C(CCS)CC(=O)CCCS

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.48
FOLH1 Q04609 4/20 0.43
HDAC3 O15379 5/20 0.33
HDAC1 Q13547 5/20 0.33
HDAC2 Q92769 5/20 0.33
HDAC10 Q969S8 5/20 0.33
HDAC11 Q96DB2 5/20 0.33
HDAC8 Q9BY41 5/20 0.33
HDAC6 Q9UBN7 5/20 0.33
HDAC4 P56524 4/20 0.33
HDAC7 Q8WUI4 4/20 0.33
HDAC9 Q9UKV0 4/20 0.33
HDAC5 Q9UQL6 4/20 0.33
HAO1 Q9UJM8 1/20 0.33

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
SCHEMBL14503187 0.91 ACE (0.55) ACEFOLH1HAO1
SCHEMBL7582700 0.82 ACE (0.48) ACEFOLH1HDAC3HDAC1HDAC2
SCHEMBL11145031 0.81 FOLH1 (0.53) ACEFOLH1HDAC3HDAC1HDAC2
SCHEMBL9637734 0.80 FOLH1 (0.55) ACEFOLH1HDAC3HDAC1HDAC2
SCHEMBL17974195 0.78 KDM4E (0.54) ACEFOLH1HDAC3HDAC1HDAC2
SCHEMBL8156771 0.78 ACE (0.44) ACEHDAC3HDAC1HDAC2HDAC8
SCHEMBL7460319 0.77
SCHEMBL9637885 0.77
SCHEMBL31565707 0.76 FOLH1 (0.39) ACEFOLH1HDAC3HDAC1HDAC2
SCHEMBL6976689 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0895611-B1 TAPE FOR USE IN MANUFACTURING ELECTROCHROMIC DEVICES MINNESOTA MINING & MFG (US) 2006-09-06 EP disclosed
EP-0824763-B1 POLYMER ELECTROLYTE COMPOSITION BASED UPON THIOL-ENE CHEMISTRY MINNESOTA MINING & MFG (US) 2000-06-14 EP disclosed
EP-0895611-A1 TAPE FOR USE IN MANUFACTURING ELECTROCHROMIC DEVICES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-02-10 EP disclosed
US-5825526-A ADHESIVE, INTERCALATING COMPOUND MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-10-20 US disclosed
EP-0824763-A1 POLYMER ELECTROLYTE COMPOSITION BASED UPON THIOL-ENE CHEMISTRY MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-02-25 EP disclosed
WO-1997040419-A1 TAPE FOR USE IN MANUFACTURING ELECTROCHROMIC DEVICES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-10-30 WO disclosed
US-5593795-A Polymer electrolyte composition based upon thiol-ene chemistry MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-01-14 US disclosed
WO-1996035238-A1 POLYMER ELECTROLYTE COMPOSITION BASED UPON THIOL-ENE CHEMISTRY MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-11-07 WO disclosed