SCHEMBL30002337

SCHEMBL30002337

CCCCCCCCCCOCCOCCOCCOCCOCCCCCCCCCCCCNC(=O)c1ccsc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 3/20 0.47
MLYCD O95822 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CA2 P00918 1/20 0.46
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 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
SCHEMBL27189085 1.00 NAAA (0.52) NAAAL3MBTL1SMN1; SMN2HDAC3HDAC1
SCHEMBL27189102 1.00 NAAA (0.52) NAAAL3MBTL1SMN1; SMN2HDAC3HDAC1
SCHEMBL27189089 1.00 NAAA (0.52) NAAAL3MBTL1SMN1; SMN2HDAC3HDAC1
SCHEMBL27189091 1.00 NAAA (0.52) NAAAL3MBTL1SMN1; SMN2HDAC3HDAC1
SCHEMBL27189079 1.00 NAAA (0.52) NAAAL3MBTL1SMN1; SMN2HDAC3HDAC1
SCHEMBL29205214 0.91 ALDH1A1 (0.50) SMN1; SMN2HDAC3HDAC1MAPTGAA
SCHEMBL6930398 0.91 NAAA (0.62) NAAAL3MBTL1SMN1; SMN2HDAC3HDAC1
SCHEMBL27189080 0.88 HDAC1 (0.49) NAAASMN1; SMN2HDAC3HDAC1HPGD
SCHEMBL863113 0.88 SMN1; SMN2 (0.52) L3MBTL1SMN1; SMN2HDAC3HDAC1MAPT
SCHEMBL10244608 0.85 SMN1; SMN2 (0.58) NAAAL3MBTL1SMN1; SMN2HDAC3HDAC1

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-2022255499-A1 NOVEL AMP-ACTIVATED PROTEIN KINASE ACTIVATOR 学校法人京都薬科大学 2022-12-08 WO disclosed