SCHEMBL13110414

SCHEMBL13110414

CC#CC#CC#CC#CC#CC#CNC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
CA2 P00918 1/20 0.30
PTGS1 P23219 1/20 0.30
MMP12 P39900 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
SCHEMBL13110569 1.00 KDM4E (0.30) KDM4ECA2PTGS1MMP12
SCHEMBL13110405 1.00 KDM4E (0.30) KDM4ECA2PTGS1MMP12
SCHEMBL13110408 1.00 KDM4E (0.30) KDM4ECA2PTGS1MMP12
SCHEMBL15497000 0.97
SCHEMBL3370615 0.78
SCHEMBL13110441 0.78
SCHEMBL13110423 0.78
SCHEMBL13110415 0.78
SCHEMBL14443564 0.75
SCHEMBL1417524 0.72

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-7820803-B2 Immobilized phosphatidic acid probe Holmes, Andrew Bruce (GB) 2010-10-26 US disclosed