SCHEMBL5059262

SCHEMBL5059262

CCCC(CC)C1CC(C)OC1=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL663294 1.00 KMT2A (0.33) KMT2AMEN1TP53CA1CA9
SCHEMBL664239 0.89 KMT2A (0.37) KMT2AMEN1TP53CA1CA9
SCHEMBL13930055 0.77 KMT2A (0.36) KMT2AMEN1TP53CA1CA9
SCHEMBL664811 0.77 KMT2A (0.36) KMT2AMEN1TP53CA1CA9
SCHEMBL23671884 0.74 ALDH1A1 (0.36)
SCHEMBL14360218 0.71 KMT2A (0.40) KMT2AMEN1TP53CA1CA9
SCHEMBL10756094 0.70 CYP1A2 (0.34)
SCHEMBL22341905 0.66 CYP1A2 (0.33)
SCHEMBL10309467 0.66 ALDH1A1 (0.37)
SCHEMBL12547904 0.66 HIF1A (0.38) KMT2AMEN1TP53

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
EP-2004773-A2 COMPOSITIONS COMPRISING A FLUOROOLEFIN E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-12-24 EP disclosed
WO-2007126414-A2 COMPOSITIONS COMPRISING A FLUOROOLEFIN E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-11-08 WO disclosed