SCHEMBL6053995

SCHEMBL6053995

CCCC[NH+](CCCC)CCCC.FC(F)(F)c1cc([B-](c2ccc([Si](Cl)(Cl)Cl)cc2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 3/20 0.33
GABRB2 P47870 3/20 0.33
RIPK1 Q13546 1/20 0.30

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
SCHEMBL6053928 0.91 GABRA2 (0.32) GABRA2GABRB2
SCHEMBL6054015 0.91 GABRA2 (0.32) GABRA2GABRB2
SCHEMBL6054044 0.91 GABRA2 (0.32) GABRA2GABRB2
SCHEMBL6054088 0.91 GABRA2 (0.32) GABRA2GABRB2
SCHEMBL134606 0.86 CYP3A4 (0.35) GABRA2GABRB2RIPK1
SCHEMBL6288802 0.83 CYP3A4 (0.34) GABRA2GABRB2RIPK1
SCHEMBL140047 0.80 LMNA (0.38)
SCHEMBL6054032 0.77
SCHEMBL217662 0.77 CYP3A4 (0.34) GABRA2GABRB2
SCHEMBL1481145 0.77 GPBAR1 (0.33)

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
US-7005398-B2 Olefin polymerization catalyst, catalyst component for olefin polymerization, method of storing these, and process for producing olefin polymer SUNALLOMER LTD. (JP) 2006-02-28 US disclosed