SCHEMBL31196271

SCHEMBL31196271

CC(=O)OCC1(CO)CCC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRKCA P17252 12/20 0.33
GALR3 O60755 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
SCHEMBL7186589 0.94 LMNA (0.34) ALDH1A1LMNAHSD17B10PRKCA
SCHEMBL30683844 0.85 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10GALR3
SCHEMBL7195368 0.83 LMNA (0.39) ALDH1A1LMNAHSD17B10GALR3
SCHEMBL16388604 0.82 OPRM1 (0.33) ALDH1A1LMNAHSD17B10PRKCA
SCHEMBL13034076 0.80 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10PRKCA
SCHEMBL8448704 0.80 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10PRKCAGALR3
SCHEMBL18134200 0.80 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10PRKCAGALR3
SCHEMBL29135764 0.79 ALOX15 (0.34) ALDH1A1LMNA
SCHEMBL24920447 0.79 ALDH1A1 (0.32) ALDH1A1LMNAHSD17B10GALR3
SCHEMBL12705085 0.78 PRKCA (0.31) PRKCA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709371-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2026-03-18 EP disclosed
WO-2024233776-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME LLC (US) 2024-11-14 WO disclosed