SCHEMBL21171900

SCHEMBL21171900

CCN(CC)CCCNC(=O)OCc1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
TGM2 P21980 1/20 0.48
HDAC1 Q13547 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
APP P05067 1/20 0.44
LMNA P02545 1/20 0.44
SIRT2 Q8IXJ6 2/20 0.43

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
SCHEMBL21171820 0.86 IDO1 (0.43) GAATGM2APPLMNASIRT2
SCHEMBL21172170 0.85 HTT (0.63) GAATGM2HDAC1HDAC3HDAC2
SCHEMBL21171693 0.83 ALDH1A1 (0.45) GAATGM2HTTAPPLMNA
SCHEMBL21171901 0.81 SCN1A (0.46) GAAHDAC1HDAC3HDAC2HDAC8
SCHEMBL9609731 0.80 TGM2 (0.47) TGM2HDAC1HDAC3HDAC2HDAC8
SCHEMBL21533733 0.78 TGM2 (0.49) TGM2HDAC1HDAC8HTTMAPT
SCHEMBL25771996 0.77 HTT (0.56) GAATGM2HTTMAPTL3MBTL1
SCHEMBL23120142 0.76 TGM2 (0.49) TGM2HDAC1HDAC3HDAC2HDAC8
SCHEMBL10243465 0.76 HDAC3 (0.47) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL29924885 0.75 HTT (0.54) GAATGM2HTTMAPTL3MBTL1

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-11353461-B2 Methods of enhancing MS detection of tagged glycans WATERS TECHNOLOGIES CORPORATION (US) 2022-06-07 US disclosed
US-20190219587-A1 METHODS OF ENHANCING MS DETECTION OF TAGGED GLYCANS WATERS TECHNOLOGIES CORPORATION 2019-07-18 US disclosed