SCHEMBL624713

SCHEMBL624713

CCCCCCCCCC#CC#CCCCCCCCCCCCCC(OCCOCCOCCOCCOCCOCCOCCO)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.45
PTPN7 P35236 4/20 0.44
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
SELP P16109 1/20 0.41
TSHR P16473 1/20 0.36

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
SCHEMBL8530902 0.89 MAPT (0.53) MEN1THRBHTTKMT2AMAPT
SCHEMBL9616061 0.81 GPR84 (0.48) MEN1THRBHTTKMT2AMAPT
Tetraethylene Glycol SCHEMBL5482539 0.79 HMGCR (0.73) HMGCRPTPN7MEN1KMT2AMAPT
SCHEMBL7647487 0.78 GPR84 (0.43) MEN1THRBHTTKMT2AMAPT
SCHEMBL7647162 0.78 GPR84 (0.43) MEN1THRBHTTKMT2AMAPT
SCHEMBL7653752 0.78 GPR84 (0.43) MEN1THRBHTTKMT2AMAPT
SCHEMBL7652116 0.78 GPR84 (0.43) MEN1THRBHTTKMT2AMAPT
SCHEMBL7646223 0.78 GPR84 (0.43) MEN1THRBHTTKMT2AMAPT
SCHEMBL6895058 0.78 GPR84 (0.43) MEN1THRBHTTKMT2AMAPT
SCHEMBL7651342 0.78 GPR84 (0.43) MEN1THRBHTTKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603200-A1 POLYMERIZED MICELLES FOR DIAGNOSIS Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2013-06-19 EP disclosed
WO-2012020337-A1 POLYMERIZED MICELLES FOR DIAGNOSIS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-02-16 WO disclosed