SCHEMBL10366199

SCHEMBL10366199

CCOC(=O)N1CCN(c2ccc(C=O)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.71
LMNA P02545 3/20 0.71
GAA P10253 3/20 0.71
KDM4E B2RXH2 3/20 0.71
ALDH1A1 P00352 9/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
HTT P42858 2/20 0.60
MAPK1 P28482 1/20 0.60
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
CASP1 P29466 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TRIM24 O15164 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
ABL1 P00519 1/20 0.49
POLB P06746 1/20 0.49
RIN1 Q13671 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL5138088 0.88 MAPT (0.56) MAPTLMNAGAAKDM4EALDH1A1
SCHEMBL6225314 0.86 MAPT (0.53) MAPTLMNAGAAKDM4EALDH1A1
SCHEMBL15127501 0.84 MAPT (0.79) MAPTLMNAGAAKDM4EALDH1A1
SCHEMBL5542809 0.83 MAPT (1.00) MAPTLMNAGAAKDM4EALDH1A1
SCHEMBL5542804 0.83 MAPT (0.77) MAPTLMNAGAAKDM4EALDH1A1
SCHEMBL31050602 0.83 ALDH1A1 (0.53) MAPTLMNAGAAKDM4EALDH1A1
SCHEMBL23201166 0.82 CA1 (0.58) MAPTLMNAGAAKDM4ESMN1; SMN2
SCHEMBL2581059 0.82 MAPT (0.75) MAPTLMNAGAAKDM4EALDH1A1
SCHEMBL27610366 0.81 MAPT (0.74) MAPTLMNAGAAKDM4EALDH1A1
SCHEMBL209802 0.81 MAPT (0.64) MAPTLMNAALDH1A1SMN1; SMN2HTT

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
EP-0200947-B1 1,3-DISUBSTITUTED IMIDAZOLIUM SALTS F. HOFFMANN-LA ROCHE AG (CH) 1990-09-12 EP disclosed
US-4831151-A NEMATOCIDES HOFFMANN-LA ROCHE INC. (US) 1989-05-16 US disclosed