SCHEMBL28709362

SCHEMBL28709362

C=CC(=O)CC(=O)C=Cc1ccc(OC2CCCCO2)c(OC)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.56
PTPN1 P18031 1/20 0.50
SNCA P37840 2/20 0.49
PDE4B Q07343 1/20 0.49
TOP2A P11388 4/20 0.48
APP P05067 5/20 0.48
MAPT P10636 3/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
PTGES O14684 2/20 0.48
BACE1 P56817 2/20 0.48
PSMB5 P28074 2/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
HDAC3 O15379 1/20 0.48
CA12 O43570 1/20 0.48
DYRK3 O43781 1/20 0.48

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
SCHEMBL29503029 0.95 NFE2L2 (0.62) NFE2L2PTPN1SNCAPDE4BTOP2A
SCHEMBL26669477 0.95 NFE2L2 (0.62) NFE2L2PTPN1SNCAPDE4BTOP2A
SCHEMBL9013036 0.86 KDM4E (0.60) NFE2L2PTPN1SNCAPDE4BHSD17B10
SCHEMBL30531894 0.86 KDM4E (0.60) NFE2L2PTPN1SNCAPDE4BHSD17B10
SCHEMBL24367560 0.86 KDM4E (0.60) NFE2L2PTPN1SNCAPDE4BHSD17B10
SCHEMBL28715666 0.86 KMT2A (0.49) NFE2L2PTPN1SNCAPDE4BHSD17B10
SCHEMBL20117563 0.84 KMT2A (0.54) NFE2L2PTPN1SNCAPDE4BHSD17B10
SCHEMBL29488042 0.84 FDPS (0.59) NFE2L2PTPN1PDE4BKDM4EALDH1A1
SCHEMBL24366826 0.84 FDPS (0.59) NFE2L2PTPN1PDE4BKDM4EALDH1A1
SCHEMBL9972303 0.82 HDAC1 (0.55) NFE2L2PTPN1PDE4BHSD17B10BACE1

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-109890377-B Personal care compositions 联合利华知识产权控股有限公司 2022-03-22 CN disclosed