SCHEMBL29976780

SCHEMBL29976780

CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COc1ccc(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.40

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
SCHEMBL29977221 1.00 AAK1 (0.40) AAK1
SCHEMBL24710475 0.84 CASP3 (0.43) —
SCHEMBL29179611 0.84 CASP3 (0.43) —
SCHEMBL24710326 0.84 CASP3 (0.43) —
SCHEMBL30248405 0.80 — —
SCHEMBL24190098 0.80 — —
Hydrochloric Acid SCHEMBL29976749 0.79 CTSB (0.37) —
Hydrochloric Acid SCHEMBL29976874 0.79 CTSB (0.37) —
SCHEMBL24710009 0.79 CTSV (0.52) —
SCHEMBL29179614 0.79 CTSV (0.52) —

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-2022208262-A1 ETHER-LINKED ANTIVIRAL COMPOUNDS PFIZER INC. (US) 2022-10-06 — — WO disclosed
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