SCHEMBL8312017

SCHEMBL8312017

CCOC(=O)c1ccc(OC)c2c1SCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
DPP4 P27487 1/20 0.41
MAPT P10636 6/20 0.39
CDC25B P30305 1/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B2 P37059 1/20 0.37
HTT P42858 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MEN1 O00255 3/20 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
SCHEMBL8307279 0.84 CYP4F2 (0.42) ALDH1A1KDM4EHSD17B10TSHRGAA
SCHEMBL8310030 0.84 TSHR (0.40) ALDH1A1KDM4EHSD17B10MAPTTSHR
SCHEMBL8310659 0.83 ALDH1A1 (0.52) LMNAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL8310731 0.81 ALDH1A1 (0.39) LMNAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL8307396 0.77 ALDH1A1 (0.39) LMNAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL8310386 0.76 KDM4E (0.43) LMNAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL8137929 0.75 TSHR (0.41) LMNAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL8307322 0.75 KDM4E (0.36) LMNAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL8310626 0.73 TSHR (0.41) LMNAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL6604621 0.72 LMNA (0.50) LMNAALDH1A1KDM4EHSD17B10MAPT

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-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP disclosed