SCHEMBL27256366

SCHEMBL27256366

COCCCS(=O)(=O)NCCOCCOC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 10/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RELA Q04206 4/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1829856 0.86 RELA (0.48) CA2ALDH1A1HPGDMAPTRELA
SCHEMBL8592245 0.82 CA2 (0.40) CA2MAPK1ALDH1A1HPGDLMNA
SCHEMBL5710485 0.77 RELA (0.44) CA2ALDH1A1HPGDLMNAKDM4E
SCHEMBL14415060 0.76 CA2 (0.41) CA2MAPK1ALDH1A1HPGDLMNA
SCHEMBL14853505 0.76 CA2 (0.41) CA2MAPK1ALDH1A1HPGDLMNA
SCHEMBL26699608 0.76 CA2 (0.40) CA2ALDH1A1HPGDLMNAKDM4E
SCHEMBL25841553 0.75 RELA (0.50) CA2ALDH1A1HPGDMAPTRELA
SCHEMBL17099873 0.75 CA2 (0.35) CA2ALDH1A1HPGDLMNAKDM4E
SCHEMBL17765005 0.75 CA2 (0.40) CA2MAPK1ALDH1A1HPGDLMNA
SCHEMBL23868218 0.73 CA2 (0.39) CA2ALDH1A1HPGDLMNAKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018117-B2 Polymer dye modification and applications BECKMAN COULTER, INC. (US) 2024-06-25 US disclosed
US-12018117-B2 Polymer dye modification and applications BECKMAN COULTER, INC. (US) 2024-06-25 US disclosed