SCHEMBL8964356

SCHEMBL8964356

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
RAB9A P51151 1/20 0.50
ALOX5 P09917 3/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 1/20 0.42
ESR1 P03372 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX12 P18054 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
SCHEMBL8964352 1.00 ALDH1A1 (0.50) ALDH1A1MAPTRAB9AALOX5MEN1
SCHEMBL453563 0.95 MAPT (0.48) ALDH1A1MAPTRAB9AALOX5MEN1
SCHEMBL8964487 0.89 ALDH1A1 (0.47) ALDH1A1MAPTRAB9AALOX5MEN1
SCHEMBL8964491 0.89 ALDH1A1 (0.47) ALDH1A1MAPTRAB9AALOX5MEN1
SCHEMBL453576 0.87 ALDH1A1 (0.49) ALDH1A1MAPTRAB9AALOX5MEN1
SCHEMBL8964466 0.87 ALDH1A1 (0.49) ALDH1A1MAPTRAB9AALOX5MEN1
SCHEMBL453575 0.87 ALDH1A1 (0.49) ALDH1A1MAPTRAB9AALOX5MEN1
SCHEMBL8964444 0.83 ALDH1A1 (0.47) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL8964517 0.83 ALDH1A1 (0.47) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL13607636 0.82 ALDH1A1 (0.56) ALDH1A1MAPTRAB9AMEN1KMT2A

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