SCHEMBL9541830

SCHEMBL9541830

C/C=C(\CC)COC([O])=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9541833 1.00 SOAT1 (0.33) SOAT1ALDH1A1
SCHEMBL28565934 0.83 ALDH1A1 (0.43) SOAT1ALDH1A1
SCHEMBL9541836 0.81 FFAR3 (0.35) SOAT1ALDH1A1
SCHEMBL9998249 0.81 ALDH1A1 (0.46) SOAT1ALDH1A1
SCHEMBL9998251 0.81 ALDH1A1 (0.46) SOAT1ALDH1A1
SCHEMBL27551705 0.74 MGAM (0.43) ALDH1A1
SCHEMBL7434547 0.74
Bicarbonate SCHEMBL4362323 0.73 FFAR3 (0.47) SOAT1ALDH1A1
SCHEMBL1363635 0.71
SCHEMBL5932376 0.70

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-1993011669-A1 USE OF 3-PHENYLURACIL DERIVATIVES FOR THE DESICCATION AND ABSCISSION OF PLANT PARTS BASF AKTIENGESELLSCHAFT (DE) 1993-06-24 WO disclosed