SCHEMBL31076180

SCHEMBL31076180

CC(C=CCC=CC/C=C\CCCC(=O)O)/C=C\CCCCCO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.57
ALDH1A1 P00352 5/20 0.55
PPARG P37231 4/20 0.55
KDM4E B2RXH2 3/20 0.55
LMNA P02545 3/20 0.55
CYP3A4 P08684 3/20 0.55
MAPT P10636 3/20 0.55
CYP19A1 P11511 3/20 0.55
HPGD P15428 3/20 0.55
ALOX15 P16050 3/20 0.55
PPARD Q03181 3/20 0.55
PPARA Q07869 3/20 0.55
HSD17B10 Q99714 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
MEN1 O00255 2/20 0.55
FABP4 P15090 2/20 0.55
NR4A2 P43354 2/20 0.55
RECQL P46063 2/20 0.55
BLM P54132 2/20 0.55
KMT2A Q03164 2/20 0.55

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
SCHEMBL8451966 0.88 ALDH1A1 (0.73) CNR2ALDH1A1PPARGKDM4ELMNA
SCHEMBL31076220 0.88 CNR2 (0.57) CNR2KDM4E
SCHEMBL11082534 0.88 ALDH1A1 (0.73) CNR2ALDH1A1PPARGKDM4ELMNA
SCHEMBL11082528 0.88 ALDH1A1 (0.73) CNR2ALDH1A1PPARGKDM4ELMNA
SCHEMBL8451963 0.88 ALDH1A1 (0.73) CNR2ALDH1A1PPARGKDM4ELMNA
SCHEMBL11097898 0.88 ALDH1A1 (0.73) CNR2ALDH1A1PPARGKDM4ELMNA
SCHEMBL11082531 0.88 ALDH1A1 (0.73) CNR2ALDH1A1PPARGKDM4ELMNA
SCHEMBL11088600 0.87 PPARG (0.76) CNR2ALDH1A1PPARGKDM4ELMNA
SCHEMBL31076262 0.87 PPARG (0.76) CNR2ALDH1A1PPARGKDM4ELMNA
SCHEMBL11088602 0.87 PPARG (0.76) CNR2ALDH1A1PPARGKDM4ELMNA

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