SCHEMBL8964436

SCHEMBL8964436

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.46
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44
ALOX12 P18054 1/20 0.44
RAB9A P51151 1/20 0.43
CLPP Q16740 2/20 0.43
CTSL P07711 6/20 0.43
CTSS P25774 4/20 0.43
CTSK P43235 3/20 0.43
CTSB P07858 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
BACE1 P56817 1/20 0.41
MGLL Q99685 1/20 0.41
MEN1 O00255 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
SCHEMBL455131 0.82 CHRND (0.55)
SCHEMBL455132 0.82 CHRND (0.55)
SCHEMBL453576 0.82 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EPOLBGAA
SCHEMBL8964466 0.82 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EPOLBGAA
SCHEMBL453575 0.82 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EPOLBGAA
SCHEMBL452264 0.80 ALDH1A1 (0.72) ALDH1A1KMT2AKDM4EPOLBGAA
SCHEMBL735245 0.80 ALDH1A1 (0.72) ALDH1A1KMT2AKDM4EPOLBGAA
SCHEMBL452263 0.80 ALDH1A1 (0.72) ALDH1A1KMT2AKDM4EPOLBGAA
SCHEMBL9120906 0.80 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4EPOLBGAA
SCHEMBL9755640 0.80 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4EPOLBGAA

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