SCHEMBL8565122

SCHEMBL8565122

CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
NOTUM Q6P988 2/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
BCHE P06276 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 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
SCHEMBL28743914 1.00 KDM1A (0.41) KDM1ANOTUMMAPTSMN1; SMN2GAA
SCHEMBL29651255 0.86 KDM1A (0.44) KDM1ANOTUMBCHEHDAC1HDAC6
SCHEMBL3695799 0.86 KDM1A (0.44) KDM1ANOTUMBCHEHDAC1HDAC6
SCHEMBL17221951 0.86 MEN1 (0.41) KDM1ASMN1; SMN2GAAHDAC1HDAC6
SCHEMBL17338584 0.85 MAPT (0.46) KDM1AMAPTSMN1; SMN2GAABCHE
SCHEMBL29651117 0.84 ALDH1A1 (0.39) MAPTGAALMNAMEN1KMT2A
SCHEMBL8562821 0.83 NOTUM (0.46) KDM1ANOTUMBCHEHDAC1HDAC6
SCHEMBL3406623 0.83 NOTUM (0.46) KDM1ANOTUMBCHEHDAC1HDAC6
SCHEMBL8016162 0.80 NOTUM (0.63) KDM1ANOTUMSMN1; SMN2BCHEHDAC1
SCHEMBL25871055 0.79 KDM1A (0.45) KDM1ANOTUMBCHEHDAC1HDAC6

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
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed