SCHEMBL31357487

SCHEMBL31357487

COc1ccc(C(=O)COc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.75
KMT2A Q03164 3/20 0.75
MEN1 O00255 2/20 0.75
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
HTT P42858 1/20 0.59
MAPT P10636 1/20 0.55
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.51

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
SCHEMBL5447871 0.86 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL6983747 0.85 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL5947939 0.82 NPC1 (0.70) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9582403 0.78 NPC1 (0.68) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL30751161 0.78 NPC1 (0.68) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL26083579 0.78 MEN1 (0.64) ALDH1A1KMT2AMEN1RAB9AHTT
SCHEMBL31357489 0.78 NPC1 (0.65) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL9369487 0.78 NPC1 (0.65) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL12309435 0.77 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL30597073 0.77 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1NPC1RAB9A

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
CN-119390550-A Method for catalytically cracking beta-O-4 lignin model compound by using visible light 浙江工业大学 2025-02-07 CN disclosed