SCHEMBL5700569

SCHEMBL5700569

COC(=O)CCC(=O)OC(=O)O.[Zn]

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.65
LMNA P02545 4/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.43
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SLC1A1 P43005 1/20 0.37
RECQL P46063 1/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8741901 0.97 TSHR (0.68) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL11032566 0.95 TSHR (0.65) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL7126720 0.84 TSHR (0.81) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL3622179 0.84 ALDH1A1 (0.45) TSHRLMNAALDH1A1MAPT
Dimethyl Succinate SCHEMBL10213 0.81 TSHR (1.00) TSHRLMNAKDM4EALDH1A1KMT2A
Dimethyl Succinate SCHEMBL28054469 0.81 TSHR (1.00) TSHRLMNAKDM4EALDH1A1KMT2A
Dimethyl Succinate SCHEMBL28198016 0.79 TSHR (0.72) TSHRLMNAKDM4EALDH1A1KMT2A
Dimethyl Succinate SCHEMBL28197319 0.78 TSHR (0.81) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL7054607 0.78 TSHR (0.42) TSHRLMNAKDM4EALDH1A1KMT2A
Dimethyl Succinate SCHEMBL7778900 0.78 TSHR (0.93) TSHRLMNAKDM4EALDH1A1KMT2A

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-1685875-A1 Multi functional oral care chewing gum Gumlink A/S (DK) 2006-08-02 EP disclosed