SCHEMBL4241268

SCHEMBL4241268

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TRPV1 Q8NER1 1/20 0.36
TSHR P16473 2/20 0.36
FABP3 P05413 3/20 0.35
PPARG P37231 4/20 0.33
PPARA Q07869 4/20 0.33
FFAR1 O14842 3/20 0.33
PPARD Q03181 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP19A1 P11511 2/20 0.33
FABP4 P15090 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.33
NR4A2 P43354 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
F7 P08709 2/20 0.33

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
SCHEMBL4239576 0.84 ALDH1A1 (0.55) ALDH1A1TRPV1TSHRFABP3PPARG
SCHEMBL4282518 0.84 ALDH1A1 (0.55) ALDH1A1TRPV1TSHRFABP3PPARG
SCHEMBL10592150 0.81 ALDH1A1 (0.45) ALDH1A1TSHRLMNATDP1MEN1
SCHEMBL6294264 0.78 ALDH1A1 (0.63) ALDH1A1TRPV1TSHRFABP3PPARG
SCHEMBL6292850 0.76 TRPV1 (0.58) ALDH1A1TRPV1TSHRFABP3PPARG
SCHEMBL3317697 0.76 ALDH1A1 (0.67) ALDH1A1TRPV1TSHRFABP3PPARG
SCHEMBL7036873 0.76 ALDH1A1 (0.61) ALDH1A1TRPV1TSHRFABP3PPARG
SCHEMBL6292848 0.76 TRPV1 (0.58) ALDH1A1TRPV1TSHRFABP3PPARG
SCHEMBL3317694 0.76 ALDH1A1 (0.67) ALDH1A1TRPV1TSHRFABP3PPARG
SCHEMBL4236798 0.76 ALDH1A1 (0.67) ALDH1A1TRPV1TSHRFABP3PPARG

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