SCHEMBL8057085

SCHEMBL8057085

CCCCCCCCCCCCCCC(CC(COc1ccccc1)[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.43
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
PLA2G4B P0C869 1/20 0.40
CTRC Q99895 1/20 0.40
FAAH O00519 6/20 0.39
PTPN11 Q06124 1/20 0.39
MLNR O43193 1/20 0.39
NR1I2 O75469 1/20 0.39
ESR1 P03372 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
ADRB2 P07550 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL28748807 0.95 LTA4H (0.47) LTA4HALOX5PPARGPPARAPLA2G4B
SCHEMBL8497121 0.78 LMNA (0.46) LTA4HDRD2MAOADRD3ALDH1A1
SCHEMBL9323932 0.76 ALDH1A1 (0.43) FAAHALDH1A1TP53
SCHEMBL28843462 0.75 BCL9 (0.47) FAAHESR1SMN1; SMN2
SCHEMBL28322019 0.75 BCL9 (0.47) FAAHESR1SMN1; SMN2
SCHEMBL4575502 0.75 ZDHHC2 (0.41) PPARGPPARAFAAHALDH1A1
SCHEMBL10335587 0.74 SLC2A1 (0.36) PLA2G4BALDH1A1SLC2A1TP53TSHR
SCHEMBL16399710 0.74 EGFR (0.48) PPARGPPARAESR1ALDH1A1MAPK1
SCHEMBL8494781 0.74 LMNA (0.44) LTA4HDRD2MAOADRD3LMNA
SCHEMBL11871818 0.74 LTA4H (0.49) LTA4HALOX5PPARGPPARAPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6046303-A MADE BY ADDING DIOXOTETRAHYDROFURAN 3-METHYLCYCLOHEXENE-1,2-DICARBOXYLIC DIANHYDRIDE TO A MIXTURE OF AROMATIC TETRACARBOXYLIC DIANHYDRIDES AND AROMATIC DIAMINES HAVING ALKOXY SIDE CHAINS; FOR LIQUID CRYSTAL ALIGNMENT LAYER KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-04-04 US disclosed