SCHEMBL7173299

SCHEMBL7173299

CCCCC/C=C\C/C=C\C/C=C\CCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(O[C@@H](C)CCCCCC)c([N+](=O)[O-])c3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.41
RARB P10826 4/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 4/20 0.41
NPC1 O15118 3/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
PRSS1 P07477 1/20 0.38
ACR P10323 1/20 0.38

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
SCHEMBL8218850 1.00 PLA2G4B (0.48) PLA2G4BSMN1; SMN2RARBTHRATHRB
SCHEMBL7172585 1.00 PLA2G4B (0.48) PLA2G4BSMN1; SMN2RARBTHRATHRB
SCHEMBL7171548 0.99 PLA2G4B (0.49) PLA2G4BSMN1; SMN2RARBTHRATHRB
SCHEMBL7168526 0.98 PLA2G4B (0.46) PLA2G4BSMN1; SMN2RARBTHRATHRB
SCHEMBL7167527 0.94 PLA2G4B (0.53) PLA2G4BSMN1; SMN2RARBTHRATHRB
SCHEMBL8926782 0.94 PLA2G4B (0.53) PLA2G4BSMN1; SMN2RARBTHRATHRB
SCHEMBL4270500 0.90 PLA2G4B (0.52) PLA2G4BSMN1; SMN2RARBTHRATHRB
SCHEMBL8924412 0.90 PLA2G4B (0.52) PLA2G4BSMN1; SMN2RARBTHRATHRB
SCHEMBL29382893 0.90 PLA2G4B (0.52) PLA2G4BSMN1; SMN2RARBTHRATHRB
SCHEMBL8924946 0.88 PLA2G4B (0.54) PLA2G4BSMN1; SMN2RARBTHRATHRB

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