SCHEMBL30159248

SCHEMBL30159248

CCCCOC(=O)NCCOCCCOCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.66
▸ LMNA P02545 2/20 0.66
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ MAPT P10636 1/20 0.54
▸ NAAA Q02083 1/20 0.52
▸ TSHR P16473 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ RECQL P46063 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ACHE P22303 6/20 0.47

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
SCHEMBL24991324 0.91 LMNA (0.81) SMN1; SMN2LMNAL3MBTL1MAPTTSHR
SCHEMBL30159302 0.84 SMN1; SMN2 (0.49) SMN1; SMN2LMNAL3MBTL1MAPTNAAA
SCHEMBL14288941 0.84 LMNA (0.69) SMN1; SMN2LMNAL3MBTL1MAPTTSHR
SCHEMBL18970362 0.82 LMNA (0.71) SMN1; SMN2LMNAL3MBTL1MAPTTSHR
SCHEMBL16302062 0.82 SMN1; SMN2 (0.85) SMN1; SMN2LMNAL3MBTL1MAPTALDH1A1
SCHEMBL30159491 0.82 SMN1; SMN2 (0.49) SMN1; SMN2LMNAL3MBTL1MAPTTSHR
SCHEMBL29399108 0.81 SMN1; SMN2 (0.83) SMN1; SMN2LMNAL3MBTL1MAPTNPC1
SCHEMBL15164979 0.81 SMN1; SMN2 (0.83) SMN1; SMN2LMNAL3MBTL1MAPTNPC1
SCHEMBL5110887 0.81 NPC1 (0.63) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL3508948 0.81 SMN1; SMN2 (0.62) SMN1; SMN2LMNAL3MBTL1MAPTNAAA

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-4110776-A1 NEW MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2023-01-04 — — EP disclosed
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