SCHEMBL3901264

SCHEMBL3901264

CC(C)(C)OC(=O)NOC(=O)CCc1ccc(I)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.40
CA1 P00915 5/20 0.40
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
AKT1 P31749 1/20 0.36
GAA P10253 1/20 0.35
CYP17A1 P05093 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
NAMPT P43490 1/20 0.35
F2RL1 P55085 1/20 0.35
CA12 O43570 2/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA9 Q16790 1/20 0.34

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
SCHEMBL7101278 0.87 CA2 (0.41) CA2CA1CYP4F2CYP4A11GAA
SCHEMBL3786555 0.86 TDP1 (0.50) CA1AKT1PPARGPPARACA12
SCHEMBL28286450 0.84 CA2 (0.37) CA2CA1PPARGPPARA
SCHEMBL4409312 0.84 CYP4F2 (0.44) CYP4F2CYP4A11F2RL1
SCHEMBL27413860 0.80 CA1 (0.42) CA2CA1
SCHEMBL1409917 0.78 F2RL1 (0.47) CA2CA1CYP4F2CYP4A11F2RL1
SCHEMBL17844769 0.78 ADRB2 (0.49) CA1AKT1CA12CA7CA14
SCHEMBL23859885 0.78 CA1 (0.37) CA2CA1GAAPPARGCA12
SCHEMBL30678936 0.77 ALOX5 (0.48) CA1AKT1CA12CA7CA14
SCHEMBL11961188 0.77 CA2 (0.55) CA2CA1NAMPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed