SCHEMBL4381392

SCHEMBL4381392

COC(=O)C1C2CC(SCCC(=O)O)C(C2)C1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL4382168 0.88 TSHR (0.34) KMT2A
SCHEMBL4383543 0.78 TSHR (0.34) ALDH1A1
SCHEMBL11660124 0.77
SCHEMBL10562777 0.75
SCHEMBL10560734 0.73 GMNN (0.33) ALDH1A1CYP2C9POLB
SCHEMBL13517364 0.71 PPM1B (0.44) PPM1BPTPN1PPP1CCMEN1ALDH1A1
SCHEMBL3694476 0.71 PPM1B (0.44) PPM1BPTPN1PPP1CCMEN1ALDH1A1
SCHEMBL11814922 0.69
SCHEMBL20928970 0.69 PPM1B (0.43) PPM1BPTPN1PPP1CCMEN1ALDH1A1
SCHEMBL12732743 0.68 PPM1B (0.52) PPM1BPTPN1PPP1CCMEN1ALDH1A1

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
US-7629424-B2 Metal-containing compositions and method of making same PRYOG, LLC (US) 2009-12-08 US claimed
US-20080015278-A1 Metal-Containing Compositions and Method of Making Same PRYOG, LLC 2008-01-17 US claimed
US-7629424-B2 Metal-containing compositions and method of making same PRYOG, LLC (US) 2009-12-08 US disclosed
US-20080015278-A1 Metal-Containing Compositions and Method of Making Same PRYOG, LLC 2008-01-17 US disclosed
WO-2007070092-A2 METAL-CONTAINING COMPOSITIONS AND METHOD OF MAKING SAME PRYOG, LLC (US) 2007-06-21 WO disclosed