SCHEMBL12834754

SCHEMBL12834754

C#CC(c1ccc(F)cc1)(c1ccc(F)cc1)C(C(=O)O)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
LMNA P02545 4/20 0.38
CYP1A2 P05177 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CES2 O00748 1/20 0.36
ACHE P22303 1/20 0.36
CES1 P23141 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 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
SCHEMBL1508041 0.79 MAPT (0.44) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL8253229 0.75 MAPT (0.44) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL18112130 0.74 MAPT (0.43) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL1508044 0.72 MAPT (0.36) MAPTALDH1A1
SCHEMBL27669587 0.69 MAPT (0.39) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL14155056 0.69 MAPT (0.39) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL13398120 0.69 EPHX2 (0.40) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL2764401 0.69 MAPT (0.38) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL9855275 0.68 MAPT (0.43) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL7682222 0.68 KCNN4 (0.45) MAPTKMT2AMEN1CYP1A2CYP2C19

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-2292595-A1 Potassium channel modulators NeuroSearch AS (DK) 2011-03-09 EP disclosed
EP-1911740-A1 POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2008-04-16 EP disclosed