SCHEMBL9541740

SCHEMBL9541740

CC=C(C)C(C)OC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
HCAR2 Q8TDS4 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 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
SCHEMBL3241097 0.84 TSHR (0.52) TSHRHCAR2CHRM2CHRM4CHRM1
SCHEMBL3241099 0.84 TSHR (0.52) TSHRHCAR2CHRM2CHRM4CHRM1
SCHEMBL9541736 0.80 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9541738 0.80 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1778617 0.73
SCHEMBL13911750 0.73
SCHEMBL14775507 0.72
SCHEMBL27917254 0.71 TSHR (0.44) TSHRHCAR2CHRM2CHRM4CHRM1
SCHEMBL9750813 0.69 TSHR (0.32) TSHR
SCHEMBL3814641 0.69 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R

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