SCHEMBL11005697

SCHEMBL11005697

CCOc1cc(N)cc(C)c1OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
TSHR P16473 3/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
HSD17B10 Q99714 3/20 0.44
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 7/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 2/20 0.41
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 2/20 0.38
TP53 P04637 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL6977821 0.89 TSHR (0.43) KDM4ETSHRGAAMAPTHSD17B10
SCHEMBL5238133 0.87 TSHR (0.59) KDM4ETSHRGAAMAPTHSD17B10
SCHEMBL11511338 0.83 ALDH1A1 (0.42) KDM4ETSHRGAAMAPTHSD17B10
Hydrochloric Acid SCHEMBL11511568 0.82 KDM4E (0.42) KDM4ETSHRGAAMAPTHSD17B10
SCHEMBL11008219 0.80 LMNA (0.46) KDM4ETSHRGAAMAPTHSD17B10
SCHEMBL10753359 0.80 ELANE (0.41) KDM4ETSHRGAAMAPTHSD17B10
SCHEMBL27780740 0.78 TSHR (0.46) KDM4ETSHRGAAMAPTHSD17B10
SCHEMBL14706339 0.78 TSHR (0.45) TSHRMAPTLMNAMEN1KMT2A
SCHEMBL11700091 0.78 KDM4E (0.46) KDM4ETSHRGAAMAPTHSD17B10
SCHEMBL28626336 0.77 TSHR (0.44) KDM4ETSHRGAAMAPTHSD17B10

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-0132881-A1 Formamidoxime derivatives with fungicidal and insecticidal activity NIPPON SODA CO., LTD. (JP) 1985-02-13 EP disclosed