SCHEMBL9541787

SCHEMBL9541787

CCC=C(C)COC([O])=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.32
ALOX15 P16050 1/20 0.31
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
SCHEMBL9541783 1.00 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL1572600 0.84 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL9752392 0.84 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL1572599 0.84 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL11202334 0.84 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL1573031 0.80 NAAA (0.38) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL1573032 0.80 NAAA (0.38) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL5932372 0.78
SCHEMBL5932376 0.78
SCHEMBL1572792 0.77 ALDH1A1 (0.43) ALDH1A1TSHRALOX15

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