SCHEMBL6047014

SCHEMBL6047014

CC(C)(c1ccc(OC(O)COCCO)cc1)c1ccc(OC(O)COCCO)c(Br)c1Br

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.33
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL1402289 0.82 AR (0.46) ARHTTHIF1ACYP3A4SMN1; SMN2
SCHEMBL43511 0.79 AR (0.34) ARHTTHIF1ACYP3A4SMN1; SMN2
SCHEMBL3875327 0.77 KMT2A (0.47) ARHTTHIF1ACYP3A4SMN1; SMN2
Di(Hydroxyethyl)Ether SCHEMBL9469008 0.69 AR (0.42) ARHTTHIF1ACYP3A4SMN1; SMN2
SCHEMBL15756007 0.68 HIF1A (0.45) ARHTTHIF1ACYP3A4SMN1; SMN2
SCHEMBL2839388 0.67 AR (0.39) ARHTTHIF1ACYP3A4SMN1; SMN2
SCHEMBL7734134 0.67 CA1 (0.37) MEN1KMT2ALMNA
SCHEMBL14444701 0.66 AR (0.61) ARHTTHIF1ACYP3A4SMN1; SMN2
SCHEMBL1537777 0.66 HTT (0.34) ARHTTHIF1AKMT2A
SCHEMBL98301 0.66 RECQL (0.50) HIF1ACYP3A4MEN1KMT2AKDM4E

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
US-20060292450-A1 Non-aqueous electrolyte secondary battery MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. 2006-12-28 US disclosed