SCHEMBL873909

SCHEMBL873909

CCC(=O)/C1=C\C/C=C(\C(=O)CC)CCC/C(C(=O)CC)=C/CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
HDAC4 P56524 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CTSK P43235 1/20 0.36
CYP1A2 P05177 1/20 0.30
GAA P10253 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
SCHEMBL873910 1.00 CHRNB2 (0.46) CHRNB2CHRNA4HDAC4HDAC2HDAC8
SCHEMBL11949184 0.86
SCHEMBL9069679 0.84
SCHEMBL3936517 0.82 HDAC2 (0.52) CHRNB2CHRNA4HDAC4HDAC2HDAC8
SCHEMBL19743478 0.77 CHRNB2 (0.49) CHRNB2CHRNA4HDAC4HDAC2HDAC8
SCHEMBL19743477 0.77 CHRNB2 (0.49) CHRNB2CHRNA4HDAC4HDAC2HDAC8
SCHEMBL19743479 0.77 CHRNB2 (0.49) CHRNB2CHRNA4HDAC4HDAC2HDAC8
SCHEMBL21542479 0.73 CHRNB2 (0.45) CHRNB2CHRNA4
SCHEMBL8367287 0.71 CHRNB2 (0.34) CHRNB2CHRNA4
SCHEMBL8367288 0.71 CHRNB2 (0.34) CHRNB2CHRNA4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2618856-A1 DEODORANT COMPOSITION FOR SULFIDES Takasago International Corporation (JP) 2013-07-31 EP disclosed
WO-2012039516-A1 DEODORANT COMPOSITION FOR SULFIDES TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-03-29 WO disclosed
EP-1869150-A1 PERFUME COMPOSITIONS Quest International Services B.V. (NL) 2007-12-26 EP disclosed
WO-2006109078-A1 PERFUME COMPOSITIONS QUEST INTERNATIONAL SERVICES B.V. (NL) 2006-10-19 WO disclosed