SCHEMBL9541802

SCHEMBL9541802

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
PTPN1 P18031 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TRPV1 Q8NER1 2/20 0.33
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
PGGT1B P53609 1/20 0.33
SOAT1 P35610 1/20 0.32
GLO1 Q04760 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
SCHEMBL9541806 1.00 ALDH1A1 (0.42) ALDH1A1ALOX15PTPN1TDP1LMNA
SCHEMBL21856602 0.84 ALDH1A1 (0.59) ALDH1A1ALOX15PTPN1TDP1LMNA
SCHEMBL11790747 0.84 ALDH1A1 (0.59) ALDH1A1ALOX15PTPN1TDP1LMNA
SCHEMBL11790751 0.84 ALDH1A1 (0.59) ALDH1A1ALOX15PTPN1TDP1LMNA
SCHEMBL3659692 0.82 ALDH1A1 (0.42) ALDH1A1ALOX15PTPN1TDP1LMNA
SCHEMBL9541808 0.82 ALDH1A1 (0.42) ALDH1A1ALOX15PTPN1TDP1LMNA
SCHEMBL9544217 0.78
SCHEMBL11694288 0.77 ALDH1A1 (0.48) ALDH1A1ALOX15PTPN1TRPV1FNTA
SCHEMBL11694292 0.77 ALDH1A1 (0.48) ALDH1A1ALOX15PTPN1TRPV1FNTA
SCHEMBL10602851 0.77 ALDH1A1 (0.39) ALDH1A1ALOX15PTPN1LMNAHSD17B10

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