SCHEMBL1504490

SCHEMBL1504490

COC=C(C=C(C)C(=O)OC)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL22719880 0.83 ALDH1A1 (0.36) ALDH1A1
SCHEMBL28488125 0.77 ALDH1A1 (0.37) ALDH1A1
SCHEMBL2539106 0.75
SCHEMBL9152549 0.75
SCHEMBL16440972 0.75
SCHEMBL1504625 0.74
SCHEMBL7771328 0.73 ALDH1A1 (0.42) ALDH1A1
SCHEMBL599552 0.73 ALDH1A1 (0.42) ALDH1A1
SCHEMBL599554 0.73 ALDH1A1 (0.42) ALDH1A1
SCHEMBL27622701 0.72 ALDH1A1 (0.37) ALDH1A1

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-2155683-B8 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC (JP) 2011-09-21 EP disclosed
EP-2155683-B1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC (JP) 2011-03-16 EP disclosed