SCHEMBL9033916

SCHEMBL9033916

CC(C)(C)OC(=O)C(N)C(O)c1ccc(CN2CCCC2)s1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADRA1D P25100 5/20 0.35
ADRA1A P35348 5/20 0.35
ADRA1B P35368 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
OGA O60502 1/20 0.33

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
SCHEMBL9032671 0.99 HRH3 (0.42) HRH3L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL9032686 0.86 HRH3 (0.41) HRH3L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL9033441 0.85 HRH3 (0.43) HRH3L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL9034996 0.82 HRH3 (0.43) HRH3L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL9032167 0.81 HRH3 (0.44) HRH3L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL9032093 0.80 SMN1; SMN2 (0.33) HRH3ALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL9032726 0.80 ALDH1A1 (0.31) KDM4EALDH1A1
SCHEMBL8697899 0.78 HRH3 (0.45) HRH3L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL8698405 0.78 HRH3 (0.39) HRH3L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL9034647 0.77 CTSL (0.38) HRH3L3MBTL1KDM4EALDH1A1MAPT

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-0696586-A1 SERINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed