SCHEMBL27982685

SCHEMBL27982685

CCNC(OC)C(O)c1ccc(O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.50
▸ TDP1 Q9NUW8 9/20 0.50
▸ ADRB2 P07550 7/20 0.50
▸ MAPK1 P28482 5/20 0.50
▸ PTGS2 P35354 2/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ MAPT P10636 9/20 0.47
▸ RECQL P46063 5/20 0.47
▸ TSHR P16473 5/20 0.47
▸ HSD17B10 Q99714 5/20 0.47
▸ HIF1A Q16665 5/20 0.47
▸ LMNA P02545 4/20 0.47
▸ MTOR P42345 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ NFKB1 P19838 3/20 0.47
▸ BLM P54132 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ APEX1 P27695 2/20 0.47
▸ THPO P40225 2/20 0.47

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
Dioxethedrin SCHEMBL249560 0.79 ADRB2 (0.58) KDM4ETDP1ADRB2MAPK1PTGS2
Dioxethedrin SCHEMBL365011 0.78 KDM4E (0.57) KDM4ETDP1ADRB2MAPK1PTGS2
SCHEMBL10763032 0.74 TDP1 (0.54) KDM4ETDP1ADRB2MAPK1PTGS2
SCHEMBL10763030 0.74 TDP1 (0.54) KDM4ETDP1ADRB2MAPK1PTGS2
SCHEMBL8006571 0.73 TDP1 (0.54) KDM4ETDP1ADRB2MAPK1PTGS2
SCHEMBL29102057 0.71 TDP1 (0.68) KDM4ETDP1ADRB2MAPK1PTGS2
SCHEMBL28141655 0.70 ADRB2 (0.47) KDM4ETDP1ADRB2MAPK1PTGS2
SCHEMBL19361289 0.70 ADRB2 (0.55) KDM4ETDP1ADRB2MAPK1PTGS2
SCHEMBL28957735 0.69 TDP1 (0.50) KDM4ETDP1ADRB2MAPK1PTGS2
SCHEMBL18159498 0.69 KDM4E (0.64) KDM4ETDP1ADRB2MAPK1PTGS2

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-104101633-A Method for preparing electrochemical sensor based on carbon nano tube and vinyl ferrocene modified carbon paste electrode WUXI BAILING SENSING TECHNOLOGY CO LTD 2014-10-15 — — CN disclosed
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