SCHEMBL4186301

SCHEMBL4186301

[CH]1[C]2CCCCCC1CCC2

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
KMT2A Q03164 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
SCHEMBL3967001 0.74
SCHEMBL15653738 0.62
SCHEMBL1538391 0.57 KMT2A (0.35) NOS1NOS2KMT2A
SCHEMBL1538419 0.57 KMT2A (0.35) NOS1NOS2KMT2A
SCHEMBL23426202 0.56 ALDH1A1 (0.39) NOS1NOS2KMT2A
SCHEMBL2999797 0.54 ALDH1A1 (0.89) NOS1NOS2KMT2A
Biphenyl SCHEMBL2997707 0.54 ALDH1A1 (0.89) NOS1NOS2KMT2A
SCHEMBL22284064 0.54 ALDH1A1 (0.89) NOS1NOS2KMT2A
SCHEMBL22284066 0.54 ALDH1A1 (0.89) NOS1NOS2KMT2A
SCHEMBL7741464 0.54 ALDH1A1 (0.89) NOS1NOS2KMT2A

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
WO-2009095522-A1 TAXANES, PRECURSORS THEREOF AND METHOD FOR OBTAINING SAME UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2009-08-06 WO disclosed
WO-2009095522-A1 TAXANES, PRECURSORS THEREOF AND METHOD FOR OBTAINING SAME UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2009-08-06 WO disclosed
WO-2005002496-A3 METHOD OF OBTAINING TAXOSTEROIDS AND PRECURSORS THEREOF UNIV SANTIAGO COMPOSTELA (ES) 2005-03-10 WO disclosed
WO-2005002496-A2 METHOD OF OBTAINING TAXOSTEROIDS AND PRECURSORS THEREOF UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2005-01-13 WO disclosed