SCHEMBL11586076

SCHEMBL11586076

CCCCCCCCCCCCCCCCCCN(C)CCC(=O)[O-].CCCCCCCCCCCCCCCCCCN(C)CCC(=O)[O-].CCCCCCCCCCCCCCCCCCN(C)CCC(=O)[O-].[Cr+3]

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 6/20 0.50
KDM5A P29375 5/20 0.50
PHF8 Q9UPP1 2/20 0.50
S1PR2 O95136 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
S1PR5 Q9H228 1/20 0.50
CA1 P00915 1/20 0.48
KDM5C P41229 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
FABP3 P05413 5/20 0.47
KDM4A O75164 2/20 0.46
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45

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
SCHEMBL11586005 0.96 KDM4C (0.50) KDM4CKDM5APHF8S1PR2S1PR1
SCHEMBL11587390 0.96 KDM4C (0.50) KDM4CKDM5APHF8S1PR2S1PR1
Zinc Ion SCHEMBL11585982 0.96 KDM4C (0.50) KDM4CKDM5APHF8S1PR2S1PR1
SCHEMBL11586043 0.96 KDM4C (0.50) KDM4CKDM5APHF8S1PR2S1PR1
SCHEMBL4066319 0.96 CA1 (0.54) KDM4CKDM5APHF8S1PR2S1PR1
SCHEMBL11586679 0.96 KDM4C (0.50) KDM4CKDM5APHF8S1PR2S1PR1
SCHEMBL11585240 0.96 KDM4C (0.50) KDM4CKDM5APHF8S1PR2S1PR1
SCHEMBL11586720 0.96 KDM4C (0.50) KDM4CKDM5APHF8S1PR2S1PR1
SCHEMBL254322 0.94 CA1 (0.56) KDM4CKDM5APHF8S1PR2S1PR1
SCHEMBL11584730 0.88 CA1 (0.52) KDM4CKDM5APHF8CA1KDM5C

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