SCHEMBL8924412

SCHEMBL8924412

CCCCCCCCCCOc1ccc(OC(=O)c2ccc(-c3ccc(O[C@@H](C)CCCCCC)c([N+](=O)[O-])c3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.52
LMNA P02545 5/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RARB P10826 4/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
PRSS1 P07477 1/20 0.43
ACR P10323 1/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
PTPN11 Q06124 1/20 0.41

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
SCHEMBL29382893 1.00 PLA2G4B (0.52) PLA2G4BLMNANPC1SMN1; SMN2NFKB1
SCHEMBL4270500 1.00 PLA2G4B (0.52) PLA2G4BLMNANPC1SMN1; SMN2NFKB1
SCHEMBL7167527 0.95 PLA2G4B (0.53) PLA2G4BLMNANPC1SMN1; SMN2NFKB1
SCHEMBL8926782 0.95 PLA2G4B (0.53) PLA2G4BLMNANPC1SMN1; SMN2NFKB1
SCHEMBL1877602 0.93 PLA2G4B (0.46) PLA2G4BLMNANPC1SMN1; SMN2NFKB1
SCHEMBL7171414 0.93 PLA2G4B (0.44) PLA2G4BLMNANPC1SMN1; SMN2NFKB1
SCHEMBL3273651 0.92 PLA2G4B (0.48) PLA2G4BLMNANPC1SMN1; SMN2NFKB1
SCHEMBL4276574 0.91 PLA2G4B (0.45) PLA2G4BLMNANPC1SMN1; SMN2NFKB1
SCHEMBL3272113 0.91 PLA2G4B (0.45) PLA2G4BLMNANPC1SMN1; SMN2NFKB1
SCHEMBL8924946 0.91 PLA2G4B (0.54) PLA2G4BLMNANPC1SMN1; SMN2NFKB1

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
US-5637256-A Ferroelectric liquid crystals for nonlinear optics applications UNIVERSITY RESEARCH CORPORATION (US) 1997-06-10 US disclosed
US-5543078-A A CHIRAL NONRACEMIC COMPOUND UNIVERSITY RESEARCH CORPORATION (US) 1996-08-06 US disclosed
WO-1992020058-A2 FERROELECTRIC LIQUID CRYSTALS FOR NONLINEAR OPTICS APPLICATIONS UNIVERSITY RESEARCH CORPORATION (US) 1992-11-12 WO disclosed