SCHEMBL7121673

SCHEMBL7121673

C#COc1c(Br)cc(Br)cc1CCCCCCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 4/20 0.35
▸ THRB P10828 4/20 0.35
▸ ALOX5 P09917 7/20 0.35
▸ PTGS2 P35354 5/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HTR2A P28223 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 0.73 TDP1 (0.36) CYP3A4ALOX15TSHRTDP1
SCHEMBL28036540 0.71 ALOX5 (0.44) ALOX5PTGS2MEN1TP53CYP3A4
SCHEMBL6514876 0.71 THRB (0.54) THRATHRBALOX5MEN1TSHR
SCHEMBL7614059 0.71 ALOX5 (0.53) ALOX5PTGS2MEN1TP53CYP3A4
SCHEMBL8400495 0.71 ALOX5 (0.53) ALOX5PTGS2MEN1TP53CYP3A4
SCHEMBL8526649 0.70 THRA (0.40) THRATHRBMEN1HTTKMT2A
SCHEMBL7063016 0.69 ALOX5 (0.39) THRATHRBALOX5MEN1CYP3A4
SCHEMBL11398840 0.69 THRA (0.61) THRATHRBMEN1TSHRKMT2A
SCHEMBL20696027 0.69 THRA (0.61) THRATHRBMEN1TSHRKMT2A
SCHEMBL20696030 0.69 THRA (0.61) THRATHRBMEN1TSHRKMT2A

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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