SCHEMBL6016977

SCHEMBL6016977

CC(C)CC(=O)[AsH]c1ccc(Cc2ncc(CC(=O)O)c(N3CCCC3)n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.32
CHRM3 P20309 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL1010430 0.75 ALDH1A1 (0.41)
SCHEMBL8737650 0.74 SMN1; SMN2 (0.49)
SCHEMBL8737654 0.74 MAPT (0.43)
SCHEMBL13107585 0.71 MAPT (0.41)
SCHEMBL1012029 0.71 PTGDR2 (0.49)
SCHEMBL1008744 0.70 PTGDR2 (0.54)
SCHEMBL1010382 0.69 NR1H4 (0.56)
SCHEMBL1010904 0.69 MAPT (0.56)
SCHEMBL1009886 0.69 TP53 (0.45)
SCHEMBL1066428 0.69 SMN1; SMN2 (0.39)

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-1633726-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 Actimis Pharmaceuticals, Inc., (US) 2006-03-15 EP disclosed
WO-2004096777-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2004-11-11 WO disclosed