SCHEMBL2658064

SCHEMBL2658064

Brc1ccc(COCCCOCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
IDO1 P14902 2/20 0.47
NAAA Q02083 3/20 0.46
CHRM3 P20309 2/20 0.46
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
LTA4H P09960 1/20 0.44
MAOB P27338 1/20 0.42

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
SCHEMBL4768252 0.94 TSHR (0.61) TSHRTDP1L3MBTL1IDO1NAAA
SCHEMBL4004770 0.91 L3MBTL1 (0.58) TSHRTDP1L3MBTL1IDO1NAAA
SCHEMBL13643219 0.89 L3MBTL1 (0.65) TSHRTDP1L3MBTL1IDO1HRH4
SCHEMBL2657770 0.87 TSHR (0.71) TSHRTDP1IDO1NAAACHRM3
SCHEMBL8621469 0.87 TSHR (0.70) TSHRTDP1L3MBTL1IDO1NAAA
SCHEMBL3686733 0.86 TSHR (0.52) TSHRTDP1L3MBTL1IDO1NAAA
SCHEMBL9347610 0.85 IDO1 (0.52) TSHRTDP1L3MBTL1IDO1NAAA
SCHEMBL26189830 0.85 TSHR (0.67) TSHRTDP1L3MBTL1IDO1NAAA
SCHEMBL134086 0.85 IDO1 (0.61) TSHRIDO1CHRM3MAOB
SCHEMBL21184508 0.83 TSHR (0.64) TSHRTDP1L3MBTL1IDO1NAAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129654-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR Metabasis Therapeutics, Inc. (US) 2009-12-09 EP disclosed
WO-2008098244-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. (US) 2008-08-14 WO disclosed