SCHEMBL23537876

SCHEMBL23537876

COC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SIRT2 Q8IXJ6 4/20 0.47
SIRT1 Q96EB6 2/20 0.47
FOLH1 Q04609 4/20 0.47
CAPN1 P07384 1/20 0.46
CAPN2 P17655 1/20 0.46
GLP1R P43220 5/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CASP1 P29466 1/20 0.43

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
SCHEMBL29902223 0.90 BCHE (0.45) LMNASMN1; SMN2SIRT2SIRT1CAPN1
SCHEMBL29902250 0.90 BCHE (0.45) LMNASMN1; SMN2SIRT2SIRT1CAPN1
SCHEMBL23538096 0.90 BCHE (0.45) LMNASMN1; SMN2SIRT2SIRT1CAPN1
SCHEMBL29467642 0.89 LMNA (0.54) LMNASMN1; SMN2SIRT2SIRT1FOLH1
SCHEMBL29902227 0.88 LMNA (0.47) LMNASMN1; SMN2SIRT2SIRT1CAPN1
SCHEMBL29902259 0.88 LMNA (0.47) LMNASMN1; SMN2SIRT2SIRT1CAPN1
SCHEMBL31631396 0.87 FOLH1 (0.57) LMNASMN1; SMN2SIRT2SIRT1FOLH1
SCHEMBL15382100 0.86 LMNA (0.57) LMNASMN1; SMN2SIRT2SIRT1FOLH1
SCHEMBL29336444 0.83 LMNA (0.54) LMNASMN1; SMN2SIRT2SIRT1FOLH1
SCHEMBL23451317 0.83 SIRT2 (0.58) SIRT2SIRT1FOLH1

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-2021127460-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed