SCHEMBL28533155

SCHEMBL28533155

Cc1cccc(/C=C/Cc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
ALOX5 P09917 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
IDO1 P14902 2/20 0.46
TP53 P04637 2/20 0.46
MAOA P21397 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
RELA Q04206 1/20 0.45
FBP1 P09467 1/20 0.45
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ACHE P22303 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
PPARG P37231 1/20 0.42
BACE1 P56817 1/20 0.42

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
SCHEMBL28533157 1.00 MAOB (0.48) MAOBALOX5PTGS1PTGS2IDO1
SCHEMBL31298991 0.93 PTGS1 (0.49) MAOBALOX5PTGS1PTGS2IDO1
SCHEMBL30189580 0.93 PTGS1 (0.49) MAOBALOX5PTGS1PTGS2IDO1
SCHEMBL8207446 0.81 TP53 (0.48) MAOBALOX5PTGS1PTGS2IDO1
SCHEMBL1892917 0.80 MAOB (0.67) MAOBIDO1TP53ALDH1A1
SCHEMBL4256257 0.80 MAOB (0.67) MAOBIDO1TP53ALDH1A1
SCHEMBL163963 0.80 MAOB (0.67) MAOBIDO1TP53ALDH1A1
SCHEMBL3847305 0.79 MAOB (0.54) MAOBALDH1A1PPARG
SCHEMBL3844786 0.79 MAOB (0.48) MAOBIDO1TP53TDP1ALDH1A1
SCHEMBL28329902 0.79 MAOB (0.48) MAOBIDO1TP53TDP1ALDH1A1

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-112299946-A Method for synthesizing 1, 2-disubstituted olefin by reacting terminal group olefin with sulfoxide 沅江华龙催化科技有限公司 2021-02-02 CN disclosed