SCHEMBL27790576

SCHEMBL27790576

CC(=O)CC(N)C(=O)OCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.53
▸ MAOA P21397 1/20 0.53
▸ MAPT P10636 3/20 0.53
▸ LMNA P02545 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ PDE1C Q14123 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ KMO O15229 1/20 0.47
▸ FFAR1 O14842 1/20 0.47
▸ F2 P00734 1/20 0.46
▸ GRM8 O00222 1/20 0.46
▸ GRM6 O15303 1/20 0.46
▸ GRM4 Q14833 1/20 0.46

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
SCHEMBL27769197 0.84 IDO1 (0.50) MAOBMAOAMAPTALDH1A1RAB9A
SCHEMBL3719794 0.81 MAOB (0.63) MAOBMAOAMAPTLMNAKMT2A
SCHEMBL27952717 0.81 MAOB (0.56) MAOBMAOAMAPTLMNAKMT2A
SCHEMBL7709511 0.80 GLO1 (0.50) MAOBMAOAMAPTLMNAKMT2A
SCHEMBL3815135 0.80 GLO1 (0.50) MAOBMAOAMAPTLMNAKMT2A
SCHEMBL31081305 0.79 RAB9A (0.62) MAOBMAOAMAPTLMNAKMT2A
SCHEMBL26789094 0.79 ALDH1A1 (0.62) MAOBMAOALMNAKMT2AMEN1
SCHEMBL6156888 0.79 RAB9A (0.56) MAOBMAOAMAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL6372059 0.79 ALDH1A1 (0.52) MAOBMAOAMAPTLMNAKMT2A
SCHEMBL3276281 0.78 RAB9A (0.57) MAOBMAOAMAPTLMNAKMT2A

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-101896203-A Use of solid forms of 5-aminolevulinic acid and derivatives in photodynamic therapy and diagnosis PHOTOCURE ASA 2010-11-24 — — CN claimed
CN-101896203-A Use of solid forms of 5-aminolevulinic acid and derivatives in photodynamic therapy and diagnosis PHOTOCURE ASA 2010-11-24 — — CN disclosed
CN-101631541-A Application of aminolevulinic acid and derivatives thereof PHOTOCURE ASA 2010-01-20 — — CN disclosed
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