SCHEMBL30836952

SCHEMBL30836952

O=S(=O)([O-])CCC[n+]1ccc(Cc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.65
EIF4H Q15056 1/20 0.65
CTDSP1 Q9GZU7 1/20 0.65
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 4/20 0.48
RXFP1 Q9HBX9 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CALM1 P0DP23 1/20 0.40
HTT P42858 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
SCHEMBL9173625 0.83 PABPC1 (0.45) PABPC1EIF4HCTDSP1ALDH1A1KDM4E
SCHEMBL17157364 0.83 PABPC1 (0.69) PABPC1EIF4HCTDSP1ALDH1A1KDM4E
SCHEMBL20548119 0.81 PABPC1 (0.57) PABPC1EIF4HCTDSP1ALDH1A1KDM4E
SCHEMBL536265 0.80 PABPC1 (0.64) PABPC1EIF4HCTDSP1BCHEACHE
SCHEMBL13934017 0.80 CALM1 (0.57) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL4411842 0.78 PABPC1 (0.62) PABPC1EIF4HCTDSP1ALDH1A1KDM4E
SCHEMBL13527298 0.78 CALM1 (0.55) CALM1BCHEACHE
SCHEMBL27250297 0.77 PABPC1 (0.53) PABPC1EIF4HCTDSP1ALDH1A1KDM4E
SCHEMBL21523400 0.76 PABPC1 (0.51) PABPC1EIF4HCTDSP1ALDH1A1KDM4E
SCHEMBL21523382 0.75 PABPC1 (0.58) PABPC1EIF4HCTDSP1ALDH1A1KDM4E

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
WO-2024068552-A1 POROUS METAL PLATE MATERIAL VECO B.V. (NL) 2024-04-04 WO disclosed