SCHEMBL21907142

SCHEMBL21907142

CC(=O)OCC(C)(C)CNC(=O)C(C)(C)N

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL9795141 0.87 SMN1; SMN2 (0.31) HSD17B10SMN1; SMN2
SCHEMBL29228020 0.75 ALDH1A1 (0.37) HSD17B10ALDH1A1LMNASMN1; SMN2
SCHEMBL24920457 0.75 ALDH1A1 (0.37) HSD17B10ALDH1A1LMNASMN1; SMN2
SCHEMBL2746180 0.75 SMN1; SMN2 (0.34) HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL9497924 0.75 ALDH1A1 (0.38) ALDH1A1LMNA
SCHEMBL11922535 0.74 ALDH1A1 (0.41) HSD17B10ALDH1A1LMNASMN1; SMN2
SCHEMBL17265370 0.73
SCHEMBL11922533 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL14627793 0.73 ALDH1A1 (0.48) HSD17B10ALDH1A1LMNASMN1; SMN2
SCHEMBL26783485 0.72 BCHE (0.36)

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
EP-2675783-B1 ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES CO (US) 2020-04-22 EP disclosed