SCHEMBL31076236

SCHEMBL31076236

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
PPARG P37231 5/20 0.46
CYP19A1 P11511 4/20 0.46
PPARD Q03181 4/20 0.46
PPARA Q07869 4/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 3/20 0.46
CYP3A4 P08684 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
ALOX15 P16050 3/20 0.46
HSD17B10 Q99714 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
MEN1 O00255 2/20 0.46
FABP4 P15090 2/20 0.46
NR4A2 P43354 2/20 0.46
RECQL P46063 2/20 0.46
BLM P54132 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL2875889 0.89 ALDH1A1 (0.53) ALDH1A1PPARGCYP19A1PPARDPPARA
SCHEMBL2873060 0.86 ALDH1A1 (0.55) ALDH1A1PPARGCYP19A1PPARDPPARA
SCHEMBL11082528 0.79 ALDH1A1 (0.73) ALDH1A1PPARGCYP19A1PPARDPPARA
SCHEMBL31076180 0.79 CNR2 (0.57) ALDH1A1PPARGCYP19A1PPARDPPARA
SCHEMBL11082531 0.79 ALDH1A1 (0.73) ALDH1A1PPARGCYP19A1PPARDPPARA
SCHEMBL8451966 0.79 ALDH1A1 (0.73) ALDH1A1PPARGCYP19A1PPARDPPARA
SCHEMBL8451963 0.79 ALDH1A1 (0.73) ALDH1A1PPARGCYP19A1PPARDPPARA
SCHEMBL11082534 0.79 ALDH1A1 (0.73) ALDH1A1PPARGCYP19A1PPARDPPARA
SCHEMBL11097898 0.79 ALDH1A1 (0.73) ALDH1A1PPARGCYP19A1PPARDPPARA
SCHEMBL11088593 0.78 PPARG (0.76) ALDH1A1PPARGCYP19A1PPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024172932-A1 ENDOCANNABINOID LIGANDS AND RELATED ANALOGS NORTHEASTERN UNIVERSITY (US) 2024-08-22 WO disclosed