SCHEMBL7937144

SCHEMBL7937144

CCC(=O)OCC(O)COCl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
DUSP3 P51452 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
LPAR1 Q92633 7/20 0.39
ENPP2 Q13822 4/20 0.39
LPAR4 Q99677 3/20 0.39
LPAR5 Q9H1C0 3/20 0.39
LPAR2 Q9HBW0 3/20 0.39
LPAR3 Q9UBY5 3/20 0.39
LPAR6 P43657 2/20 0.39
NAAA Q02083 1/20 0.36
MAPT P10636 1/20 0.35
DGKA P23743 1/20 0.35
CYP1A2 P05177 2/20 0.34
TRPV1 Q8NER1 2/20 0.34
CES2 O00748 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 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
SCHEMBL9463770 0.89 KDM4E (0.47) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL3208511 0.85 KDM4E (0.42) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL19768857 0.83 KDM4E (0.43) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL14346367 0.81 NAAA (0.42) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL6929609 0.81 TDP1 (0.44) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL6058345 0.81 KDM4E (0.42) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL6933520 0.81 KDM4E (0.42) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL992128 0.80 KDM4E (0.44) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL992127 0.80 KDM4E (0.44) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL586987 0.80 KDM4E (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068168-A1 CONTINUOUS METHOD FOR PRODUCING PROPARGYL CHLORIDE BASF AKTIENGESELLSCHAFT (DE) 2001-01-17 EP disclosed
WO-1999046226-A1 CONTINUOUS METHOD FOR PRODUCING PROPARGYL CHLORIDE BASF AKTIENGESELLSCHAFT (DE) 1999-09-16 WO disclosed