SCHEMBL20162278

SCHEMBL20162278

CCOc1cc(C=C(C(=O)O)C(=O)O)cc(OCC)c1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 5/20 0.45
TOP2A P11388 1/20 0.43
KMT2A Q03164 8/20 0.42
MEN1 O00255 7/20 0.42
EGFR P00533 2/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALPG P10696 2/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALPI P09923 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL20162234 0.84 MAPT (0.51) KDM4EALDH1A1TOP2AKMT2AMEN1
SCHEMBL23407471 0.84 MEN1 (0.57) KDM4EALDH1A1TOP2AKMT2AMEN1
SCHEMBL718131 0.81 PKM (0.59) KDM4EALDH1A1KMT2AMEN1EGFR
SCHEMBL20162247 0.80 PTP4A3 (0.43) KDM4EALDH1A1TOP2AKMT2AMEN1
SCHEMBL23407459 0.80 ALOX5 (0.47) KDM4EALDH1A1TOP2AKMT2AMEN1
SCHEMBL23407473 0.80 KDM4E (0.41) KDM4EALDH1A1TOP2AKMT2AMEN1
SCHEMBL14173718 0.79 KDM4E (0.46) KDM4EALDH1A1TOP2AKMT2AMEN1
SCHEMBL23407462 0.78 ESR1 (0.43) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL9125329 0.77 MEN1 (0.53) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL9125332 0.77 MEN1 (0.53) KDM4EALDH1A1KMT2AMEN1MAPT

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
EP-3322400-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS Merck Patent GmbH (DE) 2018-05-23 EP disclosed