SCHEMBL11584730

SCHEMBL11584730

CCCCN(C)CCC(=O)[O-].CCCCN(C)CCC(=O)[O-].[Ni+2]

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
KDM4C Q9H3R0 7/20 0.47
KDM5A P29375 5/20 0.47
BBOX1 O75936 4/20 0.47
FFAR3 O14843 2/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
KDM4A O75164 2/20 0.45
PHF8 Q9UPP1 1/20 0.45
KDM5C P41229 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
FABP3 P05413 2/20 0.41

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
SCHEMBL11586043 0.92 KDM4C (0.50) CA1KDM4CKDM5AKDM4APHF8
SCHEMBL11585240 0.92 KDM4C (0.50) CA1KDM4CKDM5AKDM4APHF8
SCHEMBL11586005 0.92 KDM4C (0.50) CA1KDM4CKDM5AKDM4APHF8
SCHEMBL254322 0.90 CA1 (0.56) CA1KDM4CKDM5ABBOX1FFAR3
Zinc Ion SCHEMBL11585982 0.88 KDM4C (0.50) CA1KDM4CKDM5AKDM4APHF8
SCHEMBL11586679 0.88 KDM4C (0.50) CA1KDM4CKDM5AKDM4APHF8
SCHEMBL4066319 0.88 CA1 (0.54) CA1KDM4CKDM5AFFAR3HDAC3
SCHEMBL11586076 0.88 KDM4C (0.50) CA1KDM4CKDM5AKDM4APHF8
SCHEMBL11586720 0.88 KDM4C (0.50) CA1KDM4CKDM5AKDM4APHF8
SCHEMBL11587390 0.88 KDM4C (0.50) CA1KDM4CKDM5AKDM4APHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4077941-A PHOTOSTABILIZERS CIBA-GEIGY CORPORATION (US) 1978-03-07 US claimed
US-4077941-A PHOTOSTABILIZERS CIBA-GEIGY CORPORATION (US) 1978-03-07 US disclosed