SCHEMBL8411485

SCHEMBL8411485

COC(=O)C1N=C(C)OC1c1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
ACHE P22303 1/20 0.46
MAPK9 P45984 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
PPARG P37231 3/20 0.43
PPARD Q03181 3/20 0.43
PPARA Q07869 1/20 0.43
EDNRB P24530 1/20 0.42
EDNRA P25101 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 3/20 0.42
CYP3A4 P08684 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
TERT O14746 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL8409047 0.80 KDM4E (0.37) GAASMN1; SMN2MAPTCYP3A4CYP2D6
SCHEMBL10707970 0.79 GAA (0.47) GAAACHEMAPK9SMN1; SMN2LMNA
SCHEMBL8409502 0.79 PDE4D (0.47) GAAACHESMN1; SMN2
SCHEMBL31454786 0.77 MAPK9 (0.55) GAAACHEMAPK9SMN1; SMN2LMNA
SCHEMBL8561858 0.71 APP (0.44) SMN1; SMN2LMNATHRBMAPTHPGD
SCHEMBL15091787 0.71 L3MBTL1 (0.65) GAAMAPK9SMN1; SMN2EDNRBEDNRA
SCHEMBL1772580 0.71 SMN1; SMN2 (0.54) GAASMN1; SMN2LMNAHPGD
SCHEMBL1772502 0.71 EDNRB (0.50) GAAACHEMAPK9SMN1; SMN2LMNA
SCHEMBL18088844 0.70 NPSR1 (0.55) GAAACHEMAPK9SMN1; SMN2EDNRB
SCHEMBL18076240 0.70 NPSR1 (0.55) GAAACHEMAPK9SMN1; SMN2EDNRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5864041-A REACTING N-ACYL-3,4-DIHYDROXYPHENYLALAMINE DERIVATIVE WITH A HALOGEN RADICAL GENERATOR, A CERIUM SALT IN PRESENCE OR ABSENCE OF COPPER SALT CATALYST, OR A PERSULFATE SALT WITH COPPER CATALYST; USEFUL FOR TREATING NERVOUS SYSTEM DISORDERS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-01-26 US disclosed
US-5739387-A CATALYTIC CYCLIZATION WITH A CERIUM SALT OR A PERSULFATE SALT, DECYCLIZATION, DEBLOCKING AND DEPROTECTING SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-14 US disclosed