SCHEMBL9541479

SCHEMBL9541479

C=CCC(C)COC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2C19 P33261 1/20 0.32
CPA1 P15085 1/20 0.32
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL9541472 0.83 TSHR (0.41) TSHRMAPTTDP1USP2LMNA
SCHEMBL7686788 0.83 TSHR (0.41) TSHRMAPTTDP1USP2LMNA
SCHEMBL8212975 0.82 TSHR (0.39) TSHRGRIK1GRIK2MAPTTDP1
SCHEMBL8221276 0.82 TSHR (0.39) TSHRGRIK1GRIK2MAPTTDP1
SCHEMBL28773870 0.82 TSHR (0.39) TSHRGRIK1GRIK2MAPTTDP1
SCHEMBL28725161 0.80 TSHR (0.35) TSHRGRIK1GRIK2MAPTCYP2C19
SCHEMBL319704 0.79 MAPT (0.39) TSHRMAPTCYP2C19
SCHEMBL28725124 0.76 GAA (0.52) TSHRMAPTTDP1LMNASMN1; SMN2
SCHEMBL8239347 0.76 TSHR (0.33) TSHRGRIK1GRIK2SMN1; SMN2
SCHEMBL3508923 0.75 TYR (0.40) SMN1; SMN2

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