SCHEMBL14645595

SCHEMBL14645595

CCCCCCCCCCCCCC(=O)c1scc(Br)c1Br

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.56
CA2 P00918 1/20 0.49
PLA2G4A P47712 1/20 0.47
GPR35 Q9HC97 4/20 0.44
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
HSD17B3 P37058 5/20 0.44
FFAR1 O14842 1/20 0.42
PLA2G2A P14555 1/20 0.42
PLA2G5 P39877 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL1164781 1.00 GSK3B (0.56) GSK3BCA2PLA2G4AGPR35CES2
SCHEMBL12374319 1.00 GSK3B (0.56) GSK3BCA2PLA2G4AGPR35CES2
SCHEMBL14645639 1.00 GSK3B (0.56) GSK3BCA2PLA2G4AGPR35CES2
SCHEMBL1156737 0.84 CA2 (0.45) GSK3BCA2PLA2G4AGPR35HSD17B3
SCHEMBL1157000 0.83 GPR35 (0.55) CA2PLA2G4AGPR35HSD17B3FFAR1
SCHEMBL10144491 0.81 GPR35 (0.57) CA2PLA2G4AGPR35CES2CES1
SCHEMBL1365090 0.79 CES2 (0.47) PLA2G4AGPR35CES2CES1HSD17B3
SCHEMBL1363701 0.79 CES2 (0.47) PLA2G4AGPR35CES2CES1HSD17B3
SCHEMBL1364678 0.79 CES2 (0.47) PLA2G4AGPR35CES2CES1HSD17B3
SCHEMBL1156997 0.79 POLB (0.46) CA2PLA2G4AGPR35HSD17B3FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140131628-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2014-05-15 US disclosed
US-20140131628-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2014-05-15 US disclosed
US-20140131628-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2014-05-15 US disclosed
EP-2729513-A2 CONJUGATED POLYMERS Merck Patent GmbH (DE) 2014-05-14 EP disclosed
WO-2013007334-A2 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2013-01-17 WO disclosed
WO-2013007334-A2 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2013-01-17 WO disclosed