SCHEMBL8580651

SCHEMBL8580651

CCCCCCCCCC(OC(CCCCCCCCC)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 2/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 2/20 0.40
GSR P00390 1/20 0.40
TXNRD1 Q16881 1/20 0.40
LMNA P02545 2/20 0.39
PPARG P37231 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
ATM Q13315 1/20 0.37
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37

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
Tetradecane SCHEMBL9443244 1.00 ALDH1A1 (0.44) ALDH1A1L3MBTL1HPGDGAACYP1A2
SCHEMBL28529420 1.00 ALDH1A1 (0.44) ALDH1A1L3MBTL1HPGDGAACYP1A2
SCHEMBL8579304 1.00 ALDH1A1 (0.44) ALDH1A1L3MBTL1HPGDGAACYP1A2
SCHEMBL17966113 1.00 ALDH1A1 (0.44) ALDH1A1L3MBTL1HPGDGAACYP1A2
SCHEMBL139471 1.00 ALDH1A1 (0.44) ALDH1A1L3MBTL1HPGDGAACYP1A2
SCHEMBL3191410 1.00 ALDH1A1 (0.44) ALDH1A1L3MBTL1HPGDGAACYP1A2
SCHEMBL1123092 0.99 ALDH1A1 (0.46) ALDH1A1L3MBTL1HPGDGAACYP1A2
SCHEMBL620127 0.94 ALDH1A1 (0.47) ALDH1A1L3MBTL1HPGDGAACYP1A2
SCHEMBL7564168 0.88 ALDH1A1 (0.49) ALDH1A1L3MBTL1CYP1A2TSHRKMT2A
SCHEMBL29116460 0.84 CYSLTR2 (0.45) ALDH1A1L3MBTL1HPGDGAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112384792-B Magnesium ion selective PVC film 雷迪奥米特医学公司 2023-05-30 CN claimed
CN-112384792-A Magnesium ion selective PVC membrane 雷迪奥米特医学公司 2021-02-19 CN claimed
WO-1998010852-A1 SUPPORTED LIQUID MEMBRANE SEPARATION COMMODORE SEPARATION TECHNOLOGIES, INC. (US) 1998-03-19 WO claimed
CN-113677986-A Ion-selective electrode and electrolyte concentration measuring device 株式会社日立高新技术 2021-11-19 CN disclosed
CN-112384792-A Magnesium ion selective PVC membrane 雷迪奥米特医学公司 2021-02-19 CN disclosed
WO-2016126593-A1 IMPROVED MAGNESIUM ION SELECTIVE MEMBRANES SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2016-08-11 WO disclosed