SCHEMBL25575596

SCHEMBL25575596

C[N+](C)(CCCCC(=O)OCc1ccccc1)CCS(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
EPHX2 P34913 1/20 0.42
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CDC25B P30305 1/20 0.38

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
SCHEMBL17787490 0.96 LMNA (0.50) LMNAALDH1A1MAPK1L3MBTL1EPHX2
SCHEMBL17787483 0.93 LMNA (0.49) LMNAALDH1A1MAPK1L3MBTL1EPHX2
SCHEMBL17787474 0.91 LMNA (0.50) LMNAALDH1A1MAPK1L3MBTL1EPHX2
SCHEMBL25760984 0.82 LMNA (0.52) LMNAALDH1A1MAPK1L3MBTL1GAA
SCHEMBL6501989 0.81 ALDH1A1 (0.57) LMNAALDH1A1MAPK1L3MBTL1EPHX2
SCHEMBL25575713 0.80 ALDH1A1 (0.53) LMNAALDH1A1MAPK1L3MBTL1EPHX2
SCHEMBL13702211 0.79 ALDH1A1 (0.62) LMNAALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL20224993 0.79 LMNA (0.62) LMNAALDH1A1MAPK1L3MBTL1GAA
SCHEMBL13901148 0.79 ALDH1A1 (0.54) LMNAALDH1A1MAPK1L3MBTL1EPHX2
SCHEMBL27086436 0.78 LMNA (0.47) LMNAALDH1A1MAPK1L3MBTL1EPHX2

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
EP-4183773-A1 ZWITTERIONIC REAGENTS Siemens Healthcare Diagnostics Inc. (US) 2023-05-24 EP disclosed