SCHEMBL9544188

SCHEMBL9544188

C=CC(C)CCOC([O])=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX15 P16050 1/20 0.34
CHRNB2 P17787 4/20 0.33
CHRNA4 P43681 4/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HPGD P15428 1/20 0.31
ALDH1A1 P00352 3/20 0.30
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
CYP3A4 P08684 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9544193 0.83 TSHR (0.36) TSHRTDP1ALOX15CHRNB2CHRNA4
SCHEMBL29012244 0.82 TSHR (0.53) TSHRTDP1ALOX15CHRNB2CHRNA4
SCHEMBL9543095 0.78
SCHEMBL10602490 0.77 ALOX15 (0.34) TSHRTDP1ALOX15CHRNB2CHRNA4
SCHEMBL10602497 0.77 ALOX15 (0.34) TSHRTDP1ALOX15CHRNB2CHRNA4
SCHEMBL1767006 0.75
SCHEMBL24142645 0.73 TDP1 (0.30) TSHRTDP1
SCHEMBL12501232 0.73
SCHEMBL9750812 0.72 TDP1 (0.34) TDP1
SCHEMBL6722103 0.71

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