SCHEMBL7188692

SCHEMBL7188692

CCCCCCC(C)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.44
ALDH1A1 P00352 6/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ABCB1 P08183 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 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
SCHEMBL8925050 0.90 XDH (0.43) XDHALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8925044 0.90 XDH (0.43) XDHALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7169542 0.89 PDE4A (0.51) XDHALDH1A1MAPTPDE4APDE4B
SCHEMBL7169145 0.89 PDE4A (0.51) XDHALDH1A1MAPTPDE4APDE4B
SCHEMBL8176758 0.89 PDE4A (0.51) XDHALDH1A1MAPTPDE4APDE4B
SCHEMBL7169143 0.89 PDE4A (0.51) XDHALDH1A1MAPTPDE4APDE4B
SCHEMBL7169538 0.89 PDE4A (0.51) XDHALDH1A1MAPTPDE4APDE4B
Hydrochloric Acid SCHEMBL8922736 0.88 PDE4A (0.50) XDHALDH1A1MAPTPDE4APDE4B
Hydrochloric Acid SCHEMBL8922741 0.88 PDE4A (0.50) XDHALDH1A1MAPTPDE4APDE4B
SCHEMBL7168949 0.88 PTPN11 (0.51) XDHALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6569504-B1 Dimers of LC-like compounds in which the monomers are linked to each other through a high birefringence moiety (dimerization linker) DISPLAYTECH, INC. 2003-05-27 US disclosed
US-6139771-A USEFUL IN ELECTOOPTICAL AND NON-LINEAR OPTICAL APPLICATIONS DISPLAYTECH, INC. (US) 2000-10-31 US disclosed