SCHEMBL28869658

SCHEMBL28869658

C=CCc1cccc(O)c1OCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
NR5A1 Q13285 1/20 0.41
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
SAE1 Q9UBE0 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 1/20 0.41
MMP2 P08253 2/20 0.39
F7 P08709 2/20 0.39
F3 P13726 2/20 0.39

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
SCHEMBL1419945 0.84 BID (0.49) NR5A1BIDMCL1BCL2L1BAK1
SCHEMBL6672329 0.84 GABRA1 (0.47) GABRA1GABRB2MAPTKDM4EHSD17B10
SCHEMBL27544915 0.82 NR5A1 (0.53) NR5A1BIDMCL1BCL2L1BAK1
2-Allylphenol SCHEMBL27875389 0.81 TSHR (0.46) GABRA1GABRB2BIDMCL1BCL2L1
SCHEMBL28062784 0.79 PTPN11 (0.45) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL3461924 0.79 CNR2 (0.48) CNR1CNR2PPARGKDM4EALOX15
2-Allylphenol SCHEMBL28164131 0.79 TSHR (0.42) CNR1CNR2GABRA1GABRB2
SCHEMBL28062791 0.78 PTPN11 (0.44) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL3739900 0.78 GABRA1 (0.50) CNR2GABRA1GABRB2MAPTKDM4E
SCHEMBL8939437 0.78 IAPP (0.47) GABRA1GABRB2NR5A1BIDMCL1

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
CN-107427528-B Glycan therapeutics and methods related thereto 卡莱多生物科技有限公司 2022-09-23 CN disclosed