SCHEMBL13839174

SCHEMBL13839174

COC(=O)C1(OCc2ccccc2)CC(OC(C)=O)C(NC(=O)CNC(=O)C(F)(F)F)C([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CD22 P20273 5/20 0.34
▸ MAG P20916 3/20 0.33
▸ LMNA P02545 1/20 0.31
▸ BCHE P06276 1/20 0.30

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
SCHEMBL30481194 0.88 LMNA (0.31) LMNABCHE
SCHEMBL25701985 0.88 LMNA (0.31) LMNABCHE
SCHEMBL25702009 0.88 — —
SCHEMBL31695023 0.88 LMNA (0.34) CD22MAGLMNA
SCHEMBL25702332 0.88 — —
SCHEMBL25702330 0.85 — —
SCHEMBL30481186 0.85 — —
SCHEMBL25702974 0.82 — —
SCHEMBL30481199 0.81 NANP (0.30) —
SCHEMBL30481197 0.81 NANP (0.30) —

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
US-7527934-B2 Labeled substrate conjugates for identifying enzyme inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-05 — — US disclosed
Send feedback