SCHEMBL29317762

SCHEMBL29317762

CC(C)OC(C)(C)C(=O)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
USP2 O75604 1/20 0.47
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.41
FKBP1A P62942 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
RECQL P46063 2/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL6188431 0.86 SMN1; SMN2 (0.45) SMN1; SMN2USP2PKMTSHRFKBP1A
SCHEMBL29317761 0.79 CA2 (0.38) SMN1; SMN2CA12CA1CA9
SCHEMBL29317760 0.77 LIPE (0.37) ALDH1A1MAPTL3MBTL1
SCHEMBL29317765 0.77 DPP4 (0.39) SMN1; SMN2ALDH1A1RAB9A
SCHEMBL8392706 0.77 SMN1; SMN2 (0.53) SMN1; SMN2USP2PKMTSHRALDH1A1
SCHEMBL5986955 0.77 SMN1; SMN2 (0.53) SMN1; SMN2USP2PKMTSHRFKBP1A
SCHEMBL29317766 0.76 CHRM2 (0.38) SMN1; SMN2ALDH1A1
SCHEMBL14433020 0.76 SMN1; SMN2 (0.52) SMN1; SMN2USP2PKMTSHRFKBP1A
SCHEMBL12308627 0.75 SMN1; SMN2 (0.45) SMN1; SMN2USP2PKMTSHRFKBP1A
SCHEMBL7603181 0.75 TSHR (0.53) SMN1; SMN2USP2TSHRFKBP1AALDH1A1

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-2024145931-A1 SMALL MOLECULE INHIBITOR FOR β-CATENIN/BCL9 PROTEIN-PROTEIN INTERACTION AND USE THEREOF 上海医药工业研究院有限公司 2024-07-11 WO disclosed