SCHEMBL3399899

SCHEMBL3399899

CCCCOC(=O)C(N)CCCCNC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.51
CA1 P00915 6/20 0.51
CA2 P00918 6/20 0.51
CA9 Q16790 6/20 0.51
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
DPP7 Q9UHL4 2/20 0.46
ACHE P22303 7/20 0.44
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44

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
SCHEMBL29429187 1.00 CA12 (0.51) CA12CA1CA2CA9MEN1
Hydrochloric Acid SCHEMBL29396310 0.99 CA12 (0.50) CA12CA1CA2CA9MEN1
SCHEMBL16124565 0.96 CA12 (0.53) CA12CA1CA2CA9MEN1
SCHEMBL30466165 0.95 CA12 (0.54) CA12CA1CA2CA9MEN1
SCHEMBL17860830 0.92 MEN1 (0.49) CA12CA1CA2CA9MEN1
SCHEMBL22961926 0.88 MEN1 (0.54) CA12CA1CA2CA9MEN1
Hydrochloric Acid SCHEMBL9416400 0.86 MEN1 (0.52) CA12CA1CA2CA9MEN1
SCHEMBL1429864 0.86 KMT2A (0.58) CA12CA1CA2CA9MEN1
SCHEMBL30860183 0.86 KMT2A (0.58) CA12CA1CA2CA9MEN1
SCHEMBL3728829 0.86 KMT2A (0.58) CA12CA1CA2CA9MEN1

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-2250164-A2 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES Nicox S.A. (FR) 2010-11-17 EP disclosed
WO-2009106471-A2 NEW ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES NICOX S.A. (FR) 2009-09-03 WO disclosed