SCHEMBL11199220

SCHEMBL11199220

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.54
▸ HTT P42858 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ IDO1 P14902 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAOB P27338 1/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ MAPT P10636 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ GAA P10253 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
SCHEMBL11204684 0.89 HTR2A (0.52) HTR2AHTTRAB9AIDO1L3MBTL1
SCHEMBL8530085 0.85 HTR2A (0.56) HTR2AHTTRAB9AIDO1L3MBTL1
SCHEMBL37664 0.83 HTR2A (0.62) HTR2AHTTRAB9AIDO1ALDH1A1
SCHEMBL27669847 0.82 HTR2A (0.53) HTR2AHTTRAB9AIDO1ALDH1A1
SCHEMBL6141153 0.82 HTR2A (0.59) HTR2AHTTRAB9AIDO1L3MBTL1
SCHEMBL6141208 0.80 HTR2A (0.64) HTR2AHTTRAB9AIDO1L3MBTL1
SCHEMBL1029307 0.80 HTR2A (0.59) HTR2AHTTRAB9AIDO1ALDH1A1
SCHEMBL4725847 0.80 HTR2A (0.59) HTR2AHTTRAB9AIDO1ALDH1A1
SCHEMBL11390522 0.79 IDO1 (0.50) HTR2AHTTRAB9AIDO1L3MBTL1
SCHEMBL11199226 0.79 HTR2A (0.56) HTR2AHTTRAB9AIDO1L3MBTL1

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
US-4395418-A 6-HYDROXYETHYL SUBSTITUTED ANTIBIOTICS SANKYO COMPANY LIMITED (JP) 1983-07-26 — — US disclosed
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