SCHEMBL8846863

SCHEMBL8846863

COc1ccccc1OCC(=O)NCCO[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.70
▸ NPSR1 Q6W5P4 1/20 0.56
▸ MAPT P10636 2/20 0.56
▸ HPGD P15428 3/20 0.54
▸ TSHR P16473 1/20 0.54
▸ LMNA P02545 3/20 0.54
▸ MTNR1A P48039 1/20 0.53
▸ MTNR1B P49286 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ GAA P10253 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL8846600 0.85 HPGD (0.68) NPSR1HPGDTSHRKMT2AALDH1A1
SCHEMBL9152872 0.83 ALDH1A1 (0.66) HSD17B10NPSR1MAPTHPGDLMNA
SCHEMBL9152090 0.82 PTGDR2 (0.51) HSD17B10MAPTHPGDTSHRKMT2A
SCHEMBL8846787 0.81 USP2 (0.62) NPSR1MAPTHPGDTSHRLMNA
SCHEMBL7391021 0.78 ADORA3 (0.53) HSD17B10MAPTHPGDTSHRLMNA
SCHEMBL7398072 0.77 HSD17B10 (0.80) HSD17B10NPSR1HPGDTSHRLMNA
SCHEMBL7543877 0.76 MAPT (0.49) MAPTHPGDTSHRLMNAKMT2A
SCHEMBL8846503 0.75 PPARD (0.60) HSD17B10MAPTHPGDKMT2AGAA
SCHEMBL8846760 0.74 MEN1 (0.61) MAPTLMNAKMT2AGAAPKM
SCHEMBL20463424 0.74 MTNR1A (0.72) HSD17B10HPGDLMNAMTNR1AMTNR1B

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
EP-0641768-B1 NITROXYALKYLAMIDE DERIVATIVE SANKYO CO (JP) 1997-07-23 — — EP disclosed
US-5580893-A TREATMENT AND PREVENTION OF ANGINA PECTORIS; SIDE-EFFECT REDUCTION; VASODILATION SANKYO COMPANY, LIMITED (JP) 1996-12-03 — — US disclosed
EP-0641768-A1 NITROXYALKYLAMIDE DERIVATIVE SANKYO COMPANY LIMITED (JP) 1995-03-08 — — EP disclosed
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