SCHEMBL4239573

SCHEMBL4239573

CC/C=C/C/C=C/C/C=C/CCCCCCCC[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 4/20 0.54
ALDH1A1 P00352 8/20 0.51
CYP19A1 P11511 4/20 0.51
F7 P08709 3/20 0.51
F3 P13726 3/20 0.51
MAPT P10636 3/20 0.51
OXER1 Q8TDS5 3/20 0.51
PPARG P37231 3/20 0.51
CYP3A4 P08684 2/20 0.51
ALOX15 P16050 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
PTGS1 P23219 2/20 0.51
KMT2A Q03164 2/20 0.51
PPARD Q03181 2/20 0.51
PPARA Q07869 2/20 0.51
NR1I2 O75469 2/20 0.51
PTGS2 P35354 2/20 0.51
FFAR1 O14842 2/20 0.51
KDM4E B2RXH2 1/20 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
SCHEMBL3319829 1.00 FABP3 (0.54) FABP3ALDH1A1CYP19A1F7F3
SCHEMBL3319828 1.00 FABP3 (0.54) FABP3ALDH1A1CYP19A1F7F3
SCHEMBL3319913 0.92 FABP3 (0.49) FABP3ALDH1A1CYP19A1F7F3
SCHEMBL7036873 0.89 ALDH1A1 (0.61) FABP3ALDH1A1CYP19A1F7F3
SCHEMBL3317694 0.89 ALDH1A1 (0.67) FABP3ALDH1A1CYP19A1F7F3
SCHEMBL3317697 0.89 ALDH1A1 (0.67) FABP3ALDH1A1CYP19A1F7F3
SCHEMBL4236798 0.89 ALDH1A1 (0.67) FABP3ALDH1A1CYP19A1F7F3
SCHEMBL6294264 0.87 ALDH1A1 (0.63) FABP3ALDH1A1CYP19A1F7F3
SCHEMBL6292848 0.81 TRPV1 (0.58) FABP3ALDH1A1CYP19A1F7F3
SCHEMBL6292850 0.81 TRPV1 (0.58) FABP3ALDH1A1CYP19A1F7F3

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 5 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
EP-1218000-A4 ANTI-CANCER NITRO- AND THIA-FATTY ACIDS WOMENS & CHILDRENS HOSPITAL (AU) 2003-07-09 EP disclosed
EP-1218000-A1 ANTI-CANCER NITRO- AND THIA-FATTY ACIDS WOMEN'S AND CHILDREN'S HOSPITAL (AU) 2002-07-03 EP disclosed
WO-2001021172-A1 ANTI-CANCER NITRO- AND THIA-FATTY ACIDS WOMEN'S AND CHILDREN'S HOSPITAL ADELAIDE (AU) 2001-03-29 WO disclosed