SCHEMBL2340296

SCHEMBL2340296

CC(C)C[C@H](NCC=Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPR3 P17342 1/20 0.38
HIF1A Q16665 1/20 0.35
MAPK14 Q16539 3/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
ANPEP P15144 2/20 0.35
LTA4H P09960 1/20 0.35
LAP3 P28838 1/20 0.35
NPEPPS P55786 1/20 0.35
ERAP2 Q6P179 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
HDAC4 P56524 3/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33

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
SCHEMBL2340287 1.00 NPR3 (0.38) NPR3HIF1AMAPK14MAPK13MAPK12
SCHEMBL2340290 1.00 NPR3 (0.38) NPR3HIF1AMAPK14MAPK13MAPK12
SCHEMBL12374513 0.91 NPR3 (0.39) NPR3HIF1AMAPK14MAPK13MAPK12
SCHEMBL14204179 0.91 NPR3 (0.39) NPR3HIF1AMAPK14MAPK13MAPK12
SCHEMBL12858426 0.84 HIF1A (0.34) HIF1AHDAC4HDAC3HDAC1HDAC7
SCHEMBL2282699 0.83 MAPK14 (0.45) NPR3HIF1AMAPK14MAPK13MAPK12
SCHEMBL2282683 0.83 MAPK14 (0.45) NPR3HIF1AMAPK14MAPK13MAPK12
SCHEMBL1147484 0.80 CACNA1B (0.44) HIF1AAAK1CTSSCTSK
SCHEMBL1147480 0.80 CACNA1B (0.44) HIF1AAAK1CTSSCTSK
SCHEMBL2276126 0.79 NPR3 (0.37) NPR3HIF1AMAPK14MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078007-B1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-08-31 EP disclosed