SCHEMBL9847336

SCHEMBL9847336

[CH2]CC(C(=O)OCCCCCC)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
EPHX2 P34913 2/20 0.43
NAAA Q02083 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX1 P07099 5/20 0.39

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
SCHEMBL5709873 0.88 TSHR (0.47) TSHREPHX2NAAAMAPK1MAPT
SCHEMBL28342738 0.82 NPSR1 (0.53) TSHREPHX2NAAAMAPK1MAPT
SCHEMBL28825961 0.81 TSHR (0.43) TSHREPHX2NAAAMAPK1MAPT
SCHEMBL634781 0.81 EPHX2 (0.43) TSHREPHX2
SCHEMBL634780 0.81 EPHX2 (0.54) TSHREPHX2NAAAMAPK1MAPT
SCHEMBL5709969 0.80 TSHR (0.48) TSHREPHX2NAAAMAPK1MAPT
SCHEMBL28342749 0.80 EPHX2 (0.48) TSHREPHX2NAAAMAPK1MAPT
SCHEMBL7662341 0.80 TSHR (0.57) TSHREPHX2NAAAMAPK1GAA
SCHEMBL7654322 0.80 TSHR (0.57) TSHREPHX2NAAAMAPK1GAA
SCHEMBL7658530 0.80 TSHR (0.57) TSHREPHX2NAAAMAPK1GAA

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
EP-0457505-A2 Pyrimidine derivatives and their use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-11-21 EP disclosed