SCHEMBL8964487

SCHEMBL8964487

CCCCOC(=O)C(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
PPARG P37231 3/20 0.45
PPARA Q07869 1/20 0.45
ALOX5 P09917 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL8964491 1.00 ALDH1A1 (0.47) ALDH1A1MAPTRAB9AL3MBTL1PPARG
SCHEMBL8964352 0.89 ALDH1A1 (0.50) ALDH1A1MAPTRAB9AL3MBTL1ALOX5
SCHEMBL8964356 0.89 ALDH1A1 (0.50) ALDH1A1MAPTRAB9AL3MBTL1ALOX5
SCHEMBL453563 0.84 MAPT (0.48) ALDH1A1MAPTRAB9AL3MBTL1PPARG
SCHEMBL8964466 0.84 ALDH1A1 (0.49) ALDH1A1MAPTRAB9AALOX5MEN1
SCHEMBL453576 0.84 ALDH1A1 (0.49) ALDH1A1MAPTRAB9AALOX5MEN1
SCHEMBL453575 0.84 ALDH1A1 (0.49) ALDH1A1MAPTRAB9AALOX5MEN1
SCHEMBL7949230 0.83 TAS1R3 (0.55) ALDH1A1MAPTRAB9AL3MBTL1ALOX5
SCHEMBL9817977 0.83 TAS1R3 (0.55) ALDH1A1MAPTRAB9AL3MBTL1ALOX5
SCHEMBL10793229 0.83 TAS1R3 (0.55) ALDH1A1MAPTRAB9AL3MBTL1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532664-B1 SUPPORTED CHIRAL LIQUID MEMBRANE FOR THE SEPARATION OF ENANTIOMERS RES CORP TECHNOLOGIES INC (US) 1996-02-14 EP disclosed
EP-0532664-A4 SUPPORTED CHIRAL LIQUID MEMBRANE FOR THE SEPARATION OF ENANTIOMERS 1993-03-31 EP disclosed
EP-0532664-A1 SUPPORTED CHIRAL LIQUID MEMBRANE FOR THE SEPARATION OF ENANTIOMERS. RES CORP TECHNOLOGIES INC (US) 1993-03-24 EP disclosed
US-5080795-A Resolution of racemates, complexing of chiral carrier and the enantiomorph in semipermeable barrier membrane RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-01-14 US disclosed
WO-1991017816-A1 SUPPORTED CHIRAL LIQUID MEMBRANE FOR THE SEPARATION OF ENANTIOMERS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-11-28 WO disclosed