SCHEMBL2647339

SCHEMBL2647339

CCOC(=O)C=C(C(=O)OCC)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
CYP1A2 P05177 2/20 0.53
LMNA P02545 2/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 3/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CASP3 P42574 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CES2 O00748 1/20 0.40
ACHE P22303 1/20 0.40
CES1 P23141 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
SCHEMBL30769665 1.00 MAPT (0.53) MAPTKMT2AMEN1NPSR1CYP1A2
SCHEMBL5794453 0.91 MAPT (0.47) MAPTKMT2AMEN1NPSR1CYP1A2
SCHEMBL5694725 0.87 NPSR1 (0.50) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL5694726 0.87 NPSR1 (0.50) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL15084622 0.84 KMT2A (0.55) MAPTKMT2AMEN1NPSR1CYP1A2
SCHEMBL7992908 0.84 MAPT (0.53) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL4911666 0.84 MAPT (0.53) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL4911670 0.84 MAPT (0.53) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL30769533 0.83 HDAC3 (0.48) MAPTKMT2AMEN1NPSR1CYP1A2
SCHEMBL5694778 0.83 NPSR1 (0.46) MAPTKMT2AMEN1NPSR1CYP1A2

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-0934274-A1 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS Bayer Corporation (US) 1999-08-11 EP disclosed
WO-1998004528-A2 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS BAYER CORPORATION (US) 1998-02-05 WO disclosed