SCHEMBL9259261

SCHEMBL9259261

CCCCCCN(C(=O)CC)C(=O)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.44
S1PR2 O95136 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
S1PR5 Q9H228 1/20 0.44
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
GGPS1 O95749 3/20 0.41
PPARG P37231 6/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
GPR84 Q9NQS5 4/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
PTPN1 P18031 2/20 0.41
SLC22A6 Q4U2R8 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
SCHEMBL30442978 0.90 CA12 (0.44) CES2CES1ALDH1A1
SCHEMBL31227091 0.82 ALDH1A1 (0.41) CES2CES1ALDH1A1
SCHEMBL4155093 0.81 CA12 (0.50) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL4155059 0.81 CA12 (0.50) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL4152693 0.81 CA12 (0.50) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL4155142 0.81 CA12 (0.50) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL4148175 0.81 CA12 (0.50) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL4300443 0.81 CA12 (0.50) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL4148017 0.81 CA12 (0.50) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL6542339 0.81 CA12 (0.50) DNM1S1PR2S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434213-B1 Monosubstituted dithiooxamide compounds and their use MINNESOTA MINING & MFG (US) 1995-04-05 EP disclosed
US-5124308-A Reacts with transition metal salt for carbonless paper copying MINNESOTA MINING AND MANUFACTURING COMPANY 1992-06-23 US disclosed
US-5041654-A Transamination in wallach reaction; controlling temperature; reactant amine concentration MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-08-20 US disclosed
EP-0434213-A1 Monosubstituted dithiooxamide compounds and their use MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-06-26 EP disclosed
EP-0431783-A1 Preparation of monosubstituted dithiooxamide compounds MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-06-12 EP disclosed