SCHEMBL24242004

SCHEMBL24242004

CCC(=O)CC(CC(=O)OC)OC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
TDP1 Q9NUW8 1/20 0.36
MGAM O43451 2/20 0.34
GAA P10253 2/20 0.34
SI P14410 2/20 0.34
MGAM2 Q2M2H8 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 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
SCHEMBL27230 0.87 TSHR (0.48) TSHRMGAMGAASIMGAM2
SCHEMBL9620366 0.80 TSHR (0.42) TSHRMGAMGAASIMGAM2
SCHEMBL24241946 0.79 GAA (0.50) TSHRTDP1MGAMGAASI
SCHEMBL3193802 0.78 TSHR (0.41) TSHRTDP1MGAMGAASI
SCHEMBL15382406 0.78 TSHR (0.41) TSHRTDP1MGAMGAASI
SCHEMBL24242028 0.78 MGAM (0.48) TSHRTDP1MGAMGAASI
SCHEMBL9738888 0.77 TSHR (0.39) TSHRTDP1MGAMGAASI
SCHEMBL8063540 0.77 TSHR (0.39) TSHRTDP1MGAMGAASI
SCHEMBL25602863 0.76 MGAM (0.44) TSHRMGAMGAASIMGAM2
SCHEMBL24242139 0.75 LMNA (0.38) TSHRMGAMGAASIMGAM2

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-3728235-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP disclosed