SCHEMBL8740463

SCHEMBL8740463

CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC.O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.73
TSHR P16473 5/20 0.73
LMNA P02545 3/20 0.73
MAPK1 P28482 3/20 0.70
CYP3A4 P08684 2/20 0.70
TP53 P04637 1/20 0.70
L3MBTL1 Q9Y468 3/20 0.63
TDP1 Q9NUW8 2/20 0.63
KDM4E B2RXH2 3/20 0.60
HSD17B10 Q99714 2/20 0.60
POLB P06746 1/20 0.60
ESR1 P03372 1/20 0.55
CACNA1F O60840 1/20 0.53
CACNA1D Q01668 1/20 0.53
CACNA1S Q13698 1/20 0.53
CACNA1C Q13936 1/20 0.53
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTGS2 P35354 1/20 0.49

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
SCHEMBL27845325 0.86 TSHR (0.60) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL28067374 0.86 TSHR (0.60) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL5072881 0.85 ALDH1A1 (1.00) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL3212303 0.85 ALDH1A1 (1.00) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL6245568 0.85 ALDH1A1 (1.00) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL81945 0.85 ALDH1A1 (1.00) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL2472738 0.85 ALDH1A1 (1.00) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL7219181 0.85 ALDH1A1 (1.00) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL2527136 0.85 ALDH1A1 (1.00) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL7185217 0.85 ALDH1A1 (1.00) ALDH1A1TSHRLMNAMAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705221-A4 METHOD AND APPARATUS FOR PHOTOCHEMICALLY OXIDIZING GASEOUS ORGANIC COMPOUNDS PROCESS TECHNOLOGIES INC (US) 1997-01-22 EP disclosed
EP-0705221-A1 METHOD AND APPARATUS FOR PHOTOCHEMICALLY OXIDIZING GASEOUS ORGANIC COMPOUNDS PROCESS TECHNOLOGIES, INCORPORATED (US) 1996-04-10 EP disclosed
WO-1994029221-A1 METHOD AND APPARATUS FOR PHOTOCHEMICALLY OXIDIZING GASEOUS ORGANIC COMPOUNDS PROCESS TECHNOLOGIES, INC. (US) 1994-12-22 WO disclosed