SCHEMBL6684468

SCHEMBL6684468

CCCCC(CC)CC(CCCC(=O)[O-])(CC(CC)CCCC)C(=O)[O-].CCCCCCCCCCCCCCCCCC[Sn+2]CCCCCCCCCCCCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.49
NFKB1 P19838 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
FABP3 P05413 7/20 0.36
CA1 P00915 1/20 0.36
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL6680820 1.00 CA2 (0.49) CA2NFKB1GPR84FABP3CA1
SCHEMBL3764830 1.00 CA2 (0.49) CA2NFKB1GPR84FABP3CA1
SCHEMBL6682233 0.95 CA2 (0.51) CA2NFKB1GPR84FABP3CA1
SCHEMBL3779276 0.87 CA2 (0.51) CA2NFKB1GPR84FABP3CA1
SCHEMBL18954912 0.85 CA2 (0.58) CA2NFKB1GPR84FABP3CA1
SCHEMBL3771040 0.85 CA2 (0.49) CA2NFKB1GPR84FABP3CA1
SCHEMBL3764241 0.85 CA2 (0.51) CA2NFKB1GPR84FABP3CA1
SCHEMBL3769934 0.85 CA2 (0.51) CA2NFKB1GPR84FABP3CA1
SCHEMBL4446797 0.84 CA1 (0.44) NFKB1GPR84FABP3CA1
SCHEMBL4447843 0.84 CA1 (0.44) NFKB1GPR84FABP3CA1

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-1026181-B1 Method of producing conjugated diene polymer JSR CORP (JP) 2004-11-24 EP disclosed
US-6391990-B1 Method of producing conjugated diene polymer JSR CORPORATION (JP) 2002-05-21 US disclosed
EP-1026181-A1 Method of producing conjugated diene polymer JSR Corporation (JP) 2000-08-09 EP disclosed