SCHEMBL28045822

SCHEMBL28045822

C1=CC2=CC=C1C2.CC1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
USP30 Q70CQ3 1/20 0.44
HPGD P15428 3/20 0.43
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
FPR2 P25090 1/20 0.40
GAA P10253 1/20 0.40
EPHX2 P34913 1/20 0.40
HPGDS O60760 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
USP2 O75604 1/20 0.39
FEN1 P39748 1/20 0.39
LIPE Q05469 1/20 0.39

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
SCHEMBL771303 0.86 ALDH1A1 (0.56) MEN1MAPTKMT2AALDH1A1USP30
SCHEMBL12908 0.86 ALDH1A1 (0.56) MEN1MAPTKMT2AALDH1A1USP30
SCHEMBL12902 0.86 ALDH1A1 (0.56) MEN1MAPTKMT2AALDH1A1USP30
SCHEMBL23394146 0.82 HPGD (0.56) MEN1MAPTKMT2AALDH1A1USP30
SCHEMBL8288407 0.82 HPGD (0.56) MEN1MAPTKMT2AALDH1A1USP30
SCHEMBL8056889 0.77 RECQL (0.54) MEN1MAPTKMT2AALDH1A1USP30
SCHEMBL15107859 0.77 HPGD (0.61) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL8276848 0.77 RECQL (0.54) MEN1MAPTKMT2AALDH1A1USP30
SCHEMBL264879 0.77 RECQL (0.54) MEN1MAPTKMT2AALDH1A1USP30
SCHEMBL27480216 0.75 GPR119 (0.45) MAPTALDH1A1HPGDRECQL

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-105143222-B Glycosidase inhibitor 默克专利有限公司 2018-02-02 CN disclosed
CN-105143222-A Glycosidase inhibitors MERCK PATENT GMBH 2015-12-09 CN disclosed