SCHEMBL31589459

SCHEMBL31589459

CN(C(=O)CCCCCBr)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
CCKBR P32239 2/20 0.41
ADAMTS5 Q9UNA0 1/20 0.40
KDM4A O75164 2/20 0.40
KDM4C Q9H3R0 2/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
CYP1A2 P05177 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL31589275 0.99 ALOX5 (0.46) ALOX5BCHEACHEALDH1A1MAPT
SCHEMBL27422841 0.85 ALOX5 (0.44) ALOX5ALDH1A1MAPTOPRM1OPRD1
SCHEMBL27422843 0.85 ALOX5 (0.44) ALOX5ALDH1A1MAPTOPRM1OPRD1
SCHEMBL15143010 0.81 KMT2A (0.55) ALOX5ALDH1A1MAPTOPRM1OPRD1
SCHEMBL29670248 0.81 ALOX5 (0.41) ALOX5ALDH1A1MAPTOPRM1OPRD1
SCHEMBL27128735 0.81 ITGB3 (0.48) ALOX5OPRM1OPRD1MMP9
SCHEMBL26985971 0.81 ITGB3 (0.48) ALOX5OPRM1OPRD1MMP9
SCHEMBL4589746 0.80 ACE (0.49) ALDH1A1MAPTOPRM1OPRD1CCKBR
SCHEMBL31589549 0.79 MAPT (0.52) ALDH1A1MAPTCCKBRCYP1A2MEN1
SCHEMBL27125283 0.79 ITGB3 (0.46) ALOX5OPRM1OPRD1MMP9NPC1

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-120040435-A Mangiferin and derivatives thereof, preparation method and medical application thereof 安徽中医药大学 2025-05-27 CN disclosed