SCHEMBL992127

SCHEMBL992127

CCC(=O)OC[C@@H](O)CC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
DUSP3 P51452 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
NAAA Q02083 1/20 0.40
ENPP2 Q13822 4/20 0.39
LPAR6 P43657 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR4 Q99677 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
MAPT P10636 1/20 0.38
DGKA P23743 1/20 0.38
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL586987 1.00 KDM4E (0.44) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL992128 1.00 KDM4E (0.44) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL9463770 0.90 KDM4E (0.47) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL4908847 0.86 LMNA (0.53) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL15946182 0.86 MGAM (0.50) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL26418603 0.85 LPAR5 (0.44) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL1408649 0.84 KDM4E (0.61) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL19768857 0.84 KDM4E (0.43) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL12572610 0.84 KDM4E (0.61) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL1381508 0.84 KDM4E (0.43) KDM4EDUSP3MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110014255-A1 PHYTOSANITARY FORMULATION GENERATING NANOPARTICLES, METHOD FOR PREPARING NANOPARTICLES AND USE THEREOF RHODIA OPERATIONS (FR) 2011-01-20 US disclosed