SCHEMBL24835698

SCHEMBL24835698

CC(C)C(=O)Nc1ccc(COC(=O)NCCS(C)(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 3/20 0.44
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TPSAB1 Q15661 2/20 0.39
PLG P00747 1/20 0.39
PRSS1 P07477 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ADRB2 P07550 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
SCHEMBL30169875 0.85 MEN1 (0.41) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL17072452 0.83 SMN1; SMN2 (0.44) ALDH1A1MEN1KMT2ALMNACA2
SCHEMBL18268264 0.79 MEN1 (0.52) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL22394067 0.78 MEN1 (0.53) ALDH1A1MEN1KMT2ALMNACA2
SCHEMBL21671263 0.77 MEN1 (0.56) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL19042827 0.76 MEN1 (0.58) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL25002073 0.76 MEN1 (0.54) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL22855985 0.76 MEN1 (0.50) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL19618196 0.74 MEN1 (0.53) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL17448210 0.74 CTSK (0.45) MEN1KMT2ALMNASMN1; SMN2L3MBTL1

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-2023275025-A1 CONJUGATES COMPRISING PHOSPHOANTIGENS AND THEIR USE IN THERAPY BYONDIS B.V. (NL) 2023-01-05 WO disclosed