SCHEMBL21722045

SCHEMBL21722045

CCOC(=O)C1CCN(CC=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
ALDH1A1 P00352 9/20 0.54
KDM4E B2RXH2 5/20 0.53
KMT2A Q03164 2/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL14573207 0.85 MAPT (0.54) MAPTALDH1A1KDM4EKMT2ATSHR
SCHEMBL15569388 0.82 MAPT (0.62) MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL6990807 0.82 MAPT (0.62) MAPTALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL30414662 0.80 MAPT (0.55) MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL25697926 0.79 MAPT (0.58) MAPTALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL4172495 0.79 MAPT (0.58) MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL1712956 0.79 MAPT (0.58) MAPTALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL7570551 0.79 HRH3 (0.48) MAPTALDH1A1KDM4EKMT2ATSHR
SCHEMBL18172778 0.78 MEN1 (0.51) MAPTALDH1A1KDM4EKMT2ATSHR
SCHEMBL378609 0.78 MAPT (0.57) MAPTALDH1A1KDM4EKMT2ATSHR

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
WO-2020033669-A1 ANTAGONISTS OF T2R54 AND COMPOSITIONS AND USES THEREOF FIRMENICH INCORPORATED (US) 2020-02-13 WO disclosed