SCHEMBL29277152

SCHEMBL29277152

CCOC(=O)C(Br)(Cc1cccc(Br)c1)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.47
RIPK1 Q13546 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CYP19A1 P11511 2/20 0.43
MAOB P27338 2/20 0.43
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
AMPD2 Q01433 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41

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
SCHEMBL13721608 0.88 MMP8 (0.47) MMP8RIPK1ALDH1A1MAPTRECQL
SCHEMBL10237568 0.87 RIPK1 (0.50) MMP8RIPK1ALDH1A1MAPTRECQL
SCHEMBL28017215 0.85 MMP8 (0.45) MMP8RIPK1ALDH1A1MAPTRECQL
SCHEMBL29277184 0.84 MAPT (0.47) MMP8RIPK1ALDH1A1MAPTRECQL
SCHEMBL29277111 0.84 LMNA (0.46) MMP8RIPK1ALDH1A1MAPTRECQL
SCHEMBL29277123 0.82 ALDH1A1 (0.60) MMP8ALDH1A1MAPTRECQLL3MBTL1
SCHEMBL13721547 0.81 HCAR2 (0.47) MMP8RIPK1ALDH1A1MAPTRECQL
SCHEMBL29277095 0.81 ALDH1A1 (0.48) MMP8ALDH1A1MAPTRECQL
SCHEMBL29277096 0.77 CNR2 (0.45) MMP8ALDH1A1RECQLPPARA
SCHEMBL788672 0.76 EGFR (0.48) ALDH1A1MAPTHCAR2CYP19A1MAOB

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-117263760-A Method for synthesizing tetrahydrobenzene-1-formamide compound by photocatalysis 西南医科大学 2023-12-22 CN disclosed