SCHEMBL8964466

SCHEMBL8964466

CCCCOC(=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 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
TAS1R3 Q7RTX0 8/20 0.48
TAS1R1 Q7RTX1 8/20 0.48
MAPT P10636 2/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 2/20 0.43
ALOX5 P09917 1/20 0.41
MEN1 O00255 1/20 0.41
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL453575 1.00 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EPOLBTAS1R3
SCHEMBL453576 1.00 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EPOLBTAS1R3
SCHEMBL8964444 0.96 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4EPOLBTAS1R3
SCHEMBL8964517 0.96 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4EPOLBTAS1R3
SCHEMBL8964352 0.87 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTRAB9AGAA
SCHEMBL8964356 0.87 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTRAB9AGAA
SCHEMBL8964497 0.86 TAS1R3 (0.65) ALDH1A1KMT2AKDM4EPOLBTAS1R3
SCHEMBL8964493 0.86 TAS1R3 (0.65) ALDH1A1KMT2AKDM4EPOLBTAS1R3
SCHEMBL8964491 0.84 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTRAB9AGAA
SCHEMBL8964487 0.84 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTRAB9AGAA

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