SCHEMBL27769197

SCHEMBL27769197

CC(=O)CC(N)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ MAOB P27338 2/20 0.49
▸ GAA P10253 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ AKR1C3 P42330 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAOA P21397 1/20 0.45
▸ DPP8 Q6V1X1 1/20 0.45
▸ DPP9 Q86TI2 1/20 0.45
▸ MAPT P10636 1/20 0.44

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
SCHEMBL8229408 0.87 IDO1 (0.51) IDO1HTTHTR2ARAB9AMAOB
SCHEMBL11412611 0.87 IDO1 (0.51) IDO1HTTHTR2ARAB9AMAOB
Bromide SCHEMBL3945418 0.86 IDO1 (0.50) IDO1HTTHTR2ARAB9AMAOB
Bromide SCHEMBL28819964 0.86 IDO1 (0.50) IDO1HTTHTR2ARAB9AMAOB
SCHEMBL12214491 0.86 HTR2A (0.53) IDO1HTTHTR2ARAB9AMAOB
Bromide SCHEMBL29012388 0.86 IDO1 (0.50) IDO1HTTHTR2ARAB9AMAOB
SCHEMBL7275342 0.86 HTR2A (0.53) IDO1HTTHTR2ARAB9AMAOB
Bromide SCHEMBL28819963 0.86 IDO1 (0.50) IDO1HTTHTR2ARAB9AMAOB
SCHEMBL6921335 0.84 GAA (0.57) IDO1HTTHTR2ARAB9AMAOB
SCHEMBL27790576 0.84 MAOB (0.53) HTTRAB9AMAOBGAAALDH1A1

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 4 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-101631541-A Application of aminolevulinic acid and derivatives thereof PHOTOCURE ASA 2010-01-20 — — 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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