SCHEMBL6922595

SCHEMBL6922595

C=CCN([C]=O)C(=O)N(CC=C)CC=C

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.34
DPP4 P27487 1/20 0.34
POLB P06746 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
SCHEMBL13786 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2DPP4POLB
SCHEMBL4933350 0.79
SCHEMBL4087556 0.77 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4440625 0.77
SCHEMBL27949 0.76 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL18496092 0.71 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2DPP4POLB
SCHEMBL29140220 0.71 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2DPP4POLB
SCHEMBL4952774 0.71 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL569156 0.69 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2DPP4POLB
SCHEMBL17841720 0.68 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2DPP4POLB

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-1453804-A2 CCR-3 RECEPTOR ANTAGONISTS VII F. Hoffmann-La Roche AG (CH) 2004-09-08 EP disclosed
WO-2003045917-A2 CCR-3 RECEPTOR ANTAGONISTS VII F. HOFFMANN-LAROCHE AG (CH) 2003-06-05 WO disclosed