SCHEMBL5334429

SCHEMBL5334429

Cc1ccc(CNC(=O)OC2CCC(CN(Cc3cccc(C)c3)S(=O)(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 13/20 0.55
TP53 P04637 1/20 0.53
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.43
CXCR3 P49682 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL5337346 0.87 TAS2R14 (0.52) TAS2R14TP53LMNAMAPK1
SCHEMBL3860348 0.87 TAS2R14 (0.63) TAS2R14TP53LMNAMAPK1
SCHEMBL3853015 0.80 TAS2R14 (0.72) TAS2R14TP53LMNAMAPK1GAA
SCHEMBL3853063 0.78 TAS2R14 (0.76) TAS2R14TP53LMNAMAPK1
SCHEMBL3859841 0.77 TAS2R14 (0.58) TAS2R14TP53LMNA
SCHEMBL3856963 0.76 TAS2R14 (0.66) TAS2R14TP53LMNAMAPK1
SCHEMBL13714179 0.75 TAS2R14 (0.59) TAS2R14TP53
SCHEMBL3856062 0.75 TAS2R14 (0.70) TAS2R14TP53LMNAMAPK1
SCHEMBL3860040 0.74 TAS2R14 (0.63) TAS2R14LMNAMAPK1
SCHEMBL3851892 0.74 TAS2R14 (0.60) TAS2R14CXCR3

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
WO-2007067817-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-06-14 WO claimed