SCHEMBL23905225

SCHEMBL23905225

C=C(O)CCC(C)(C)C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 2/20 0.31
TET2 Q6N021 1/20 0.31
MAPT P10636 1/20 0.31
GGT1 P19440 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 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
SCHEMBL27669499 0.80 ALDH1A1 (0.46) TDP1KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL3293803 0.77 LMNA (0.38) TDP1KMT2AMAPTMEN1ALDH1A1
Hydrochloric Acid SCHEMBL6214815 0.75 LMNA (0.36) TDP1KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL21035141 0.75 ALDH1A1 (0.45) TDP1ALDH1A1CYP1A2
SCHEMBL23393881 0.73 LMNA (0.30)
SCHEMBL24691959 0.72 ACLY (0.46) TDP1KMT2AMAPTGGT1MEN1
Trifluoroacetic Acid SCHEMBL4530228 0.71 NOS1 (0.36) KMT2AGGT1MEN1ALDH1A1CYP1A2
SCHEMBL17424317 0.71
SCHEMBL15340969 0.71 ACLY (0.39) TDP1KMT2AMAPTGGT1ALDH1A1
SCHEMBL232206 0.70 KDM4E (0.36) TDP1KMT2AMEN1ALDH1A1CYP1A2

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-2021201577-A1 HMG-COA REDUCTASE DEGRADATION INDUCING COMPOUND UPPTHERA (KR) 2021-10-07 WO disclosed