SCHEMBL31412759

SCHEMBL31412759

Cc1ccccc1OC(=O)CC(=O)OBr

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
BCHE P06276 1/20 0.44
NOTUM Q6P988 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL241599 0.91 TDP1 (0.58) TDP1ATML3MBTL1BCHENOTUM
SCHEMBL4825104 0.83 ALDH1A1 (0.53) TDP1ATML3MBTL1KDM4EALDH1A1
SCHEMBL241600 0.82 TDP1 (0.54) TDP1ATML3MBTL1NOTUMNPSR1
SCHEMBL10907508 0.82 TDP1 (0.54) TDP1ATML3MBTL1BCHENOTUM
SCHEMBL5835024 0.80 TDP1 (0.55) TDP1ATML3MBTL1BCHENOTUM
SCHEMBL29941922 0.80 TDP1 (0.58) TDP1ATML3MBTL1BCHENOTUM
SCHEMBL644115 0.80 TDP1 (0.58) TDP1ATML3MBTL1BCHENOTUM
SCHEMBL27800887 0.78 TDP1 (0.61) TDP1ATML3MBTL1BCHENOTUM
SCHEMBL5404741 0.78 TDP1 (0.57) TDP1ATML3MBTL1BCHELMNA
SCHEMBL2097797 0.78 TDP1 (0.50) TDP1ATML3MBTL1BCHENOTUM

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
CN-119798077-A Preparation method of diaryl dicarbonyl substituted olefin 华侨大学 2025-04-11 CN disclosed