SCHEMBL14724921

SCHEMBL14724921

CC/C(=C\SC)NC(C)=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TAS2R38 P59533 1/20 0.30

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
SCHEMBL11429636 0.77
SCHEMBL19560656 0.73 ALDH1A1 (0.35) CRBNALDH1A1TDP1TAS2R38
SCHEMBL7723727 0.71 KDM4E (0.33) CRBNALDH1A1TDP1TAS2R38
SCHEMBL7723729 0.71 KDM4E (0.33) CRBNALDH1A1TDP1TAS2R38
SCHEMBL23745122 0.70 ALDH1A1 (0.36) CRBNALDH1A1TDP1TAS2R38
SCHEMBL18599260 0.68 CRBN (0.31) CRBNALDH1A1TDP1
SCHEMBL27832794 0.68 HCAR2 (0.37) CRBNALDH1A1TDP1
SCHEMBL21861622 0.67 CRBN (0.33) CRBNTAS2R38
SCHEMBL19258304 0.64 TRPA1 (0.32)
SCHEMBL98447 0.63

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
EP-2562175-A1 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES Dow AgroSciences LLC (US) 2013-02-27 EP disclosed