SCHEMBL31644348

SCHEMBL31644348

CCOC(=O)C(=O)CC(=O)[C@@H]1C[C@H]1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ MGAM O43451 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ FAAH O00519 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GLO1 Q04760 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL31644469 0.83 — —
SCHEMBL31644417 0.83 — —
SCHEMBL31644379 0.83 — —
SCHEMBL21818702 0.81 GAA (0.52) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL20743953 0.81 GAA (0.52) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL28396393 0.81 GAA (0.52) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL21818703 0.81 GAA (0.52) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL1694342 0.76 GAA (0.44) ALDH1A1SMN1; SMN2POLBGAAMGAM
SCHEMBL8804853 0.73 GAA (0.52) ALDH1A1SMN1; SMN2POLBGAAMGAM
SCHEMBL3993142 0.73 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBGAAMAPT

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-2025133989-A1 SMYD MODULATORS AND USES THEREOF ALT-BIO PTE. LTD. (SG) 2025-06-26 — — WO disclosed
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