SCHEMBL944481

SCHEMBL944481

C#COCCOCCOCCNC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
CA12 O43570 7/20 0.43
CA1 P00915 7/20 0.43
CA2 P00918 7/20 0.43
CA9 Q16790 7/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
IDO1 P14902 1/20 0.39
BCHE P06276 1/20 0.39
CNR2 P34972 1/20 0.39
EPHX1 P07099 1/20 0.38
ADRB2 P07550 1/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL13759236 1.00 TDP1 (0.45) TDP1CA12CA1CA2CA9
SCHEMBL7528318 0.90 TDP1 (0.50) TDP1CA12CA1CA2CA9
SCHEMBL22276648 0.87 TDP1 (0.56) TDP1CA12CA1CA2CA9
SCHEMBL12885084 0.87 TDP1 (0.56) TDP1CA12CA1CA2CA9
SCHEMBL22276641 0.87 TDP1 (0.56) TDP1CA12CA1CA2CA9
SCHEMBL13055393 0.85 TDP1 (0.58) TDP1CA12CA1CA2CA9
SCHEMBL21669660 0.84 TDP1 (0.45) TDP1CA12CA1CA2CA9
SCHEMBL22796851 0.84 TDP1 (0.45) TDP1CA12CA1CA2CA9
SCHEMBL13759230 0.84 TDP1 (0.45) TDP1CA12CA1CA2CA9
SCHEMBL22276586 0.84 TDP1 (0.45) TDP1CA12CA1CA2CA9

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-2448929-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-09 EP disclosed
WO-2011001052-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-06 WO disclosed