SCHEMBL8924946

SCHEMBL8924946

CCCCCCCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(O[C@@H](C)CCCCCC)cc3[N+](=O)[O-])cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.54
RARB P10826 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
LMNA P02545 5/20 0.43
NPC1 O15118 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 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
SCHEMBL8926782 0.94 PLA2G4B (0.53) PLA2G4BRARBSMN1; SMN2THRATHRB
SCHEMBL7167527 0.94 PLA2G4B (0.53) PLA2G4BRARBSMN1; SMN2THRATHRB
SCHEMBL29382893 0.91 PLA2G4B (0.52) PLA2G4BRARBSMN1; SMN2THRATHRB
SCHEMBL8924412 0.91 PLA2G4B (0.52) PLA2G4BRARBSMN1; SMN2THRATHRB
SCHEMBL4270500 0.91 PLA2G4B (0.52) PLA2G4BRARBSMN1; SMN2THRATHRB
SCHEMBL7171548 0.89 PLA2G4B (0.49) PLA2G4BRARBSMN1; SMN2THRATHRB
SCHEMBL8218850 0.88 PLA2G4B (0.48) PLA2G4BRARBSMN1; SMN2THRATHRB
SCHEMBL7172585 0.88 PLA2G4B (0.48) PLA2G4BRARBSMN1; SMN2THRATHRB
SCHEMBL7173299 0.88 PLA2G4B (0.48) PLA2G4BRARBSMN1; SMN2THRATHRB
SCHEMBL7172601 0.87 PLA2G4B (0.47) PLA2G4BRARBSMN1; SMN2THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658493-A Ferroelectric liquid crystals for nonlinear optics applications UNIVERSITY RESEARCH CORPORATION (US) 1997-08-19 US disclosed
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