SCHEMBL4236798

SCHEMBL4236798

CCCCC/C=C/C/C=C/C/C=C/CCCCC[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
FABP3 P05413 3/20 0.54
TRPV1 Q8NER1 1/20 0.53
PPARG P37231 5/20 0.51
KDM4E B2RXH2 4/20 0.51
F7 P08709 4/20 0.51
F3 P13726 4/20 0.51
PPARD Q03181 4/20 0.51
PPARA Q07869 4/20 0.51
FFAR1 O14842 3/20 0.51
LMNA P02545 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP19A1 P11511 2/20 0.51
FABP4 P15090 2/20 0.51
HPGD P15428 2/20 0.51
ALOX15 P16050 2/20 0.51
PTGS1 P23219 2/20 0.51
NR4A2 P43354 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TDP1 Q9NUW8 2/20 0.51

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
SCHEMBL3317697 1.00 ALDH1A1 (0.67) ALDH1A1FABP3TRPV1PPARGKDM4E
SCHEMBL3317694 1.00 ALDH1A1 (0.67) ALDH1A1FABP3TRPV1PPARGKDM4E
SCHEMBL6294264 0.98 ALDH1A1 (0.63) ALDH1A1FABP3TRPV1PPARGKDM4E
SCHEMBL7036873 0.96 ALDH1A1 (0.61) ALDH1A1FABP3TRPV1PPARGKDM4E
SCHEMBL6292848 0.93 TRPV1 (0.58) ALDH1A1FABP3TRPV1PPARGKDM4E
SCHEMBL6292850 0.93 TRPV1 (0.58) ALDH1A1FABP3TRPV1PPARGKDM4E
SCHEMBL4282518 0.93 ALDH1A1 (0.55) ALDH1A1FABP3TRPV1PPARGKDM4E
SCHEMBL4239576 0.93 ALDH1A1 (0.55) ALDH1A1FABP3TRPV1PPARGKDM4E
SCHEMBL4239573 0.89 FABP3 (0.54) ALDH1A1FABP3TRPV1PPARGKDM4E
SCHEMBL3319829 0.89 FABP3 (0.54) ALDH1A1FABP3TRPV1PPARGKDM4E

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
EP-2120916-A1 MODULATORS OF ANTIGEN-DEPENDENT T CELL PROLIFERATION Children, Youth and Womens's Health Service Incorporated (AU) 2009-11-25 EP disclosed
WO-2009006668-A1 MODULATORS OF ANTIGEN-DEPENDENT T CELL PROLIFERATION CHILDREN, YOUTH AND WOMEN'S HEALTH SERVICE (AU) 2009-01-15 WO disclosed