SCHEMBL22508201

SCHEMBL22508201

COCCOCCOCCN(C(=O)OC(C)(C)C)c1cc(COS(C)(=O)=O)cc(COS(C)(=O)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.32
CSNK2A1 P68400 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
SCHEMBL22508203 0.93 F2 (0.33) F2
SCHEMBL12700643 0.84 CSNK2A1 (0.35) F2L3MBTL1CSNK2A1
SCHEMBL22508149 0.83 F2 (0.34) F2L3MBTL1CSNK2A1
SCHEMBL3420854 0.80
SCHEMBL12695835 0.75 NR1I2 (0.38) F2L3MBTL1CSNK2A1
SCHEMBL12537855 0.72 CA2 (0.32)
SCHEMBL14454973 0.72 TRPV4 (0.34) L3MBTL1
SCHEMBL22508171 0.72 CSNK2A1 (0.39) F2L3MBTL1CSNK2A1
SCHEMBL25522772 0.72 F2 (0.41) F2L3MBTL1CSNK2A1
SCHEMBL3420385 0.72 HDAC3 (0.33)

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-2020205564-A1 CYTOTOXIC BIS-BENZODIAZEPINE DERIVATIVES AND CONJUGATES THEREOF WITH CELL-BINDING AGENTS FOR INHIBITING ABNORMAL CELL GROWTH OR FOR TREATING PROLIFERATIVE DISEASES IMMUNOGEN, INC. (US) 2020-10-08 WO disclosed