SCHEMBL26669477

SCHEMBL26669477

COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC3CCCCO3)c(OC)c2)ccc1OC1CCCCO1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.62
SNCA P37840 2/20 0.53
PDE4B Q07343 1/20 0.53
APP P05067 5/20 0.53
TOP2A P11388 4/20 0.53
MAPT P10636 3/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
TSHR P16473 2/20 0.53
HSD17B10 Q99714 2/20 0.53
PTGES O14684 2/20 0.53
BACE1 P56817 2/20 0.53
PSMB5 P28074 2/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
HDAC3 O15379 1/20 0.53
CA12 O43570 1/20 0.53
DYRK3 O43781 1/20 0.53
PLIN1 O60240 1/20 0.53

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 1.00 NFE2L2 (0.62) NFE2L2SNCAPDE4BAPPTOP2A
SCHEMBL28709362 0.95 NFE2L2 (0.56) NFE2L2SNCAPDE4BAPPTOP2A
SCHEMBL24367560 0.91 KDM4E (0.60) NFE2L2SNCAPDE4BHSD17B10KDM4E
SCHEMBL30531894 0.91 KDM4E (0.60) NFE2L2SNCAPDE4BHSD17B10KDM4E
SCHEMBL9013036 0.91 KDM4E (0.60) NFE2L2SNCAPDE4BHSD17B10KDM4E
SCHEMBL20117563 0.89 KMT2A (0.54) NFE2L2SNCAPDE4BHSD17B10KDM4E
SCHEMBL29488042 0.88 FDPS (0.59) NFE2L2PDE4BKDM4EALDH1A1HPGD
SCHEMBL24366826 0.88 FDPS (0.59) NFE2L2PDE4BKDM4EALDH1A1HPGD
SCHEMBL9972303 0.87 HDAC1 (0.55) NFE2L2PDE4BHSD17B10BACE1KDM4E
SCHEMBL11959784 0.86 ABCG2 (0.63) PDE4BMAPTMEN1ALDH1A1CA1

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
EP-3532040-B1 A PERSONAL CARE COMPOSITION UNILEVER GLOBAL IP LTD (GB) 2023-11-29 EP disclosed