SCHEMBL28898703

SCHEMBL28898703

CCCc1cc(OC(C)=O)ccc1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
AKT1 P31749 1/20 0.48
LMNA P02545 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
FPR1 P21462 1/20 0.46
ALOX5 P09917 2/20 0.46
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.43
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
BACE1 P56817 1/20 0.42
ACHE P22303 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL23306718 0.87 ALOX5 (0.60) KDM4ELMNARAB9ANPC1PKM
SCHEMBL23714926 0.87 ALOX5 (0.60) KDM4ELMNARAB9ANPC1PKM
SCHEMBL6696944 0.85 LMNA (0.47) KDM4EAKT1LMNARAB9ANPC1
SCHEMBL11706717 0.85 KDM4E (0.50) KDM4EAKT1LMNARAB9ANPC1
SCHEMBL13459450 0.83 ACHE (0.54) KDM4ELMNAPKMHTTMAPT
SCHEMBL23483725 0.82 KDM4E (0.54) KDM4EAKT1LMNARAB9ANPC1
SCHEMBL9165101 0.82 TSHR (0.63) KDM4EAKT1LMNARAB9APKM
SCHEMBL27278118 0.81 KDM4E (0.46) KDM4EAKT1LMNARAB9ANPC1
SCHEMBL7660763 0.81 KDM4E (0.53) KDM4EAKT1LMNARAB9ANPC1
SCHEMBL23203397 0.80 LMNA (0.48) KDM4EAKT1LMNARAB9ANPC1

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-111602041-A Temperature detection ink, method for initializing temperature detection ink, temperature indicator, and article management system 株式会社日立产机系统 2020-08-28 CN disclosed