SCHEMBL9541781

SCHEMBL9541781

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ALOX15 P16050 1/20 0.31
GRN P28799 1/20 0.30
SORT1 Q99523 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
SCHEMBL11151140 0.84 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9541778 0.82 TSHR (0.34) TSHRCHRM2CHRM4CHRM1TBXA2R
Methacrylic Acid SCHEMBL9959196 0.81 ALOX15 (0.36) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2349785 0.80 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7523181 0.80 TSHR (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL876828 0.80 TSHR (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7524444 0.80 TSHR (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9331894 0.78 MMP1 (0.31) MMP1MMP2MMP3MMP9MMP13
SCHEMBL11140568 0.78 MEN1 (0.37) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1268762 0.78 SLC22A6 (0.39) 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