SCHEMBL5109697

SCHEMBL5109697

CCc1c(Br)c(Br)c(CC)c(CC)c1Br

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
PTPN1 P18031 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
SCHEMBL5108761 0.93 GABRA1 (0.35) GABRA1GABRB2CA1CA2CA4
SCHEMBL5095740 0.93 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL5108696 0.93 GABRA1 (0.38) GABRA1GABRB2CA1CA2CA4
SCHEMBL5073204 0.89 GABRA1 (0.36) GABRA1GABRB2CA1CA2CA4
SCHEMBL3683190 0.89 GABRA1 (0.36) GABRA1GABRB2CA1CA2CA4
SCHEMBL5102526 0.86 GABRA1 (0.35) GABRA1GABRB2CA1CA2CA4
SCHEMBL12514873 0.80 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL5109742 0.80 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL5108713 0.80 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL9683844 0.78 CA1 (0.38) GABRA1GABRB2CA1CA2CA4

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-20080200573-A1 Flame Retarded Styrenic Foams and Foam Precursors ALBEMARLE CORPORATION (US) 2008-08-21 US disclosed