SCHEMBL9035542

SCHEMBL9035542

CC(=O)NC(C)C(O)c1ccc(CN2CCCC2)s1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
ACACB O00763 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9032268 0.90 HRH3 (0.46) HRH3ACACBL3MBTL1ALDH1A1KDM4E
SCHEMBL8703126 0.84 HRH3 (0.43) HRH3L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL9034551 0.82 HRH3 (0.39) HRH3ACACBL3MBTL1ALDH1A1KDM4E
SCHEMBL9034272 0.80 ATM (0.45) HRH3ALDH1A1SMN1; SMN2
SCHEMBL8697899 0.79 HRH3 (0.45) HRH3L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL9034996 0.75 HRH3 (0.43) HRH3L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL25156049 0.75 HRH3 (0.48) HRH3L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL9035119 0.74 HRH3 (0.39) HRH3L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL9032167 0.74 HRH3 (0.44) HRH3L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL9031813 0.73 HRH3 (0.41) HRH3L3MBTL1ALDH1A1KDM4EMAPT

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
CN-1121713-A serine derivatives YAMANOUCHI PHARMA CO LTD (JP) 1996-05-01 CN disclosed
EP-0696586-A1 SERINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed