SCHEMBL6497835

SCHEMBL6497835

CC(C)C(=O)NC1COCCO1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL812055 0.76
SCHEMBL27220801 0.75
SCHEMBL28223299 0.72 GAA (0.30)
SCHEMBL26873972 0.72 PDE9A (0.39)
SCHEMBL26855513 0.72 PDE9A (0.39)
SCHEMBL13380074 0.72 PDE9A (0.39)
SCHEMBL28453642 0.71 CHRM2 (0.31)
SCHEMBL28882730 0.70 PYGB (0.33)
SCHEMBL28816029 0.70 NFKB1 (0.39) ALDH1A1L3MBTL1
SCHEMBL16750112 0.70 ALDH1A1 (0.43) ALDH1A1L3MBTL1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118317959-A Preparation method of anti-tumor drug for inhibiting TGF-beta 四川科伦博泰生物医药股份有限公司 2024-07-09 CN disclosed
WO-2005020987-A1 HETEROCYCLIC AMIDE DERIVATIVES WHICH POSSES GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-03-10 WO disclosed
WO-2001002442-A1 POLYSACCHARIDE ASPARTATE AVENTIS RES & TECH GMBH & CO (DE) 2001-01-11 WO disclosed