SCHEMBL28819231

SCHEMBL28819231

COc1ccc(C=CC(=O)C=Cc2ccc(OCC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc2)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 14/20 0.62
PKM P14618 2/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL28819256 0.92 PKM (0.67) GPR183PKMALDH1A1POLBLMNA
SCHEMBL28819236 0.92 GPR183 (0.62) GPR183PKMALDH1A1POLBLMNA
SCHEMBL28819260 0.91 PKM (0.53) GPR183PKMALDH1A1POLBLMNA
SCHEMBL28819228 0.90 PKM (0.53) GPR183PKMALDH1A1POLBLMNA
SCHEMBL28819261 0.86 GPR183 (0.52) GPR183PKMALDH1A1POLBLMNA
SCHEMBL28819249 0.84 ALDH1A1 (0.58) GPR183PKMALDH1A1LMNA
SCHEMBL28819254 0.84 GPR183 (0.70) GPR183PKMALDH1A1LMNA
SCHEMBL28819240 0.82 PKM (0.81) GPR183PKMALDH1A1POLBLMNA
SCHEMBL28819253 0.79 LMNA (0.79) GPR183PKMALDH1A1POLBLMNA
SCHEMBL16598857 0.78 GPR183 (1.00) GPR183

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114634465-B Pentadienone derivative containing sulfonyl piperazine as well as preparation method and application thereof 贵州大学 2023-05-30 CN disclosed
CN-114634465-A Sulfonyl piperazine-containing pentadiene ketone derivative and preparation method and application thereof 贵州大学 2022-06-17 CN disclosed