SCHEMBL7124456

SCHEMBL7124456

C#COc1c(Br)cc(Br)cc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.44
▸ GABRB1 P18505 1/20 0.44
▸ THRA P10827 6/20 0.33
▸ THRB P10828 6/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ALOX15 P16050 2/20 0.32
▸ ALOX12 P18054 1/20 0.32

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
SCHEMBL9067066 0.82 TDP1 (0.36) GABRA1GABRB1HSD17B10ALOX15ALOX12
SCHEMBL28891144 0.73 GABRA1 (0.42) GABRA1GABRB1THRATHRBHSD17B10
SCHEMBL4686810 0.73 GABRA1 (0.36) GABRA1GABRB1THRATHRB
SCHEMBL3640929 0.71 GABRA1 (0.54) GABRA1GABRB1HSD17B10ALOX15ALOX12
SCHEMBL11264823 0.68 GABRA1 (0.50) GABRA1GABRB1THRBHSD17B10
SCHEMBL8106919 0.68 GABRA1 (0.42) GABRA1GABRB1THRATHRBHSD17B10
SCHEMBL1535013 0.67 GABRA1 (0.37) GABRA1GABRB1THRATHRB
SCHEMBL30486245 0.67 GABRA1 (0.41) GABRA1GABRB1THRATHRBHSD17B10
SCHEMBL7618929 0.67 GABRA1 (0.41) GABRA1GABRB1THRATHRBHSD17B10
SCHEMBL447804 0.67 GABRA1 (0.41) GABRA1GABRB1THRATHRBHSD17B10

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-1109776-B1 BROMINATED MATERIALS MINNESOTA MINING & MFG (US) 2003-06-04 — — EP claimed
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