SCHEMBL28171182

SCHEMBL28171182

CCC(=O)c1cc(OCc2ccccc2)cc([N+](=O)[O-])c1O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MAPT P10636 4/20 0.46
▸ CTSV O60911 4/20 0.46
▸ CTSL P07711 4/20 0.46
▸ BACE1 P56817 1/20 0.45
▸ MAOB P27338 2/20 0.45
▸ PKM P14618 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ RAB9A P51151 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ATM Q13315 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
SCHEMBL19327157 0.88 CTSV (0.46) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL561090 0.88 MAOB (0.56) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL19327132 0.82 MEN1 (0.45) MEN1KMT2ACTSVCTSLBACE1
SCHEMBL28849620 0.80 MAOB (0.49) MEN1KMT2AMAPTMAOBL3MBTL1
SCHEMBL19341723 0.79 MAPT (0.45) MEN1KMT2AMAPTPKML3MBTL1
SCHEMBL27684770 0.78 BACE1 (0.52) MEN1KMT2AMAPTBACE1MAOB
SCHEMBL27647870 0.78 MAPT (0.45) MEN1KMT2AMAPTBACE1MAOB
SCHEMBL27585583 0.77 CTSV (0.54) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL27852320 0.76 MAOB (0.63) MEN1KMT2AMAPTMAOBRAB9A
SCHEMBL27519354 0.76 MAPT (0.54) MEN1KMT2AMAPTMAOBRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110215933-A A kind of preparation method of respiratory medicine object Ao Dateluo intermediate 马海红 2019-09-10 — — CN claimed
CN-110215933-A A kind of preparation method of respiratory medicine object Ao Dateluo intermediate 马海红 2019-09-10 — — CN disclosed
CN-107108502-A having beta2Biphenyl derivatives with receptor agonism and M receptor antagonistic activity and application thereof in medicine 四川海思科制药有限公司 2017-08-29 — — CN disclosed
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