SCHEMBL29721054

SCHEMBL29721054

COC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ EPHX1 P07099 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.38
▸ TSHR P16473 2/20 0.36
▸ TLR2 O60603 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ EPHX2 P34913 2/20 0.34
▸ ADRA1A P35348 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ TLR1 Q15399 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ECE1 P42892 1/20 0.33

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
SCHEMBL29240391 1.00 MEN1 (0.44) MEN1KMT2AEPHX1SMN1; SMN2LMNA
SCHEMBL24340304 1.00 MEN1 (0.44) MEN1KMT2AEPHX1SMN1; SMN2LMNA
SCHEMBL9340071 0.85 EPHX1 (0.52) MEN1KMT2AEPHX1SMN1; SMN2LMNA
SCHEMBL22423305 0.85 MEN1 (0.44) MEN1KMT2AEPHX1SMN1; SMN2LMNA
SCHEMBL29721189 0.85 TSHR (0.44) MEN1KMT2AEPHX1SMN1; SMN2LMNA
SCHEMBL25457968 0.85 MEN1 (0.44) MEN1KMT2AEPHX1SMN1; SMN2LMNA
SCHEMBL26088703 0.85 MEN1 (0.44) MEN1KMT2AEPHX1SMN1; SMN2LMNA
SCHEMBL22691294 0.84 LMNA (0.45) MEN1KMT2ASMN1; SMN2LMNATLR2
SCHEMBL25457971 0.82 EPHX1 (0.42) MEN1KMT2AEPHX1SMN1; SMN2LMNA
SCHEMBL24490705 0.82 ADRA1A (0.52) MEN1KMT2ASMN1; SMN2TSHRTLR2

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
CN-115368916-A Droplet interior surface engineering for capture of molecular targets 斯特拉斯堡大学 2022-11-22 — — CN disclosed
CN-109073647-B Droplet interior surface engineering for capture of molecular targets 斯特拉斯堡大学 2022-07-12 — — CN disclosed
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