SCHEMBL31606449

SCHEMBL31606449

CC(NC(=O)OC(C)(C)C)C(O)CO

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.53
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CTSK P43235 9/20 0.44
▸ CTSS P25774 5/20 0.43
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL13538162 1.00 CYP2D6 (0.53) CYP2D6CA1CA2CA7CTSK
SCHEMBL3380313 0.85 CYP2D6 (0.53) CYP2D6CA1CA2CA7CTSK
SCHEMBL14931110 0.85 CYP2D6 (0.53) CYP2D6CA1CA2CA7CTSK
SCHEMBL14384109 0.84 CYP2D6 (0.51) CYP2D6CA1CA2CA7CTSK
SCHEMBL14357346 0.84 CYP2D6 (0.51) CYP2D6CA1CA2CA7CTSK
SCHEMBL18681581 0.84 CYP2D6 (0.51) CYP2D6CA1CA2CA7CTSK
SCHEMBL16885191 0.84 CYP2D6 (0.51) CYP2D6CA1CA2CA7CTSK
SCHEMBL14384110 0.84 CYP2D6 (0.51) CYP2D6CA1CA2CA7CTSK
SCHEMBL14923535 0.84 CA1 (0.53) CYP2D6CA1CA2CA7CTSK
SCHEMBL17282912 0.84 CYP2D6 (0.51) CYP2D6CA1CA2CA7CTSK

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-2025109631-A1 SYNTHETIC DELIVERY SYSTEMS AND CONJUGATES THEREOF MICRO CRISPR PVT. LTD. (IN) 2025-05-30 — — WO disclosed
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