SCHEMBL6139981

SCHEMBL6139981

O=C(O)c1c[nH]c2ccc(CCCCCc3cccc(O)c3)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.50
GABRB2 P47870 6/20 0.50
GABRP O00591 3/20 0.50
GABRD O14764 3/20 0.50
GABRB1 P18505 3/20 0.50
GABRG2 P18507 3/20 0.50
GABRB3 P28472 3/20 0.50
GABRA5 P31644 3/20 0.50
GABRA3 P34903 3/20 0.50
GABRA2 P47869 3/20 0.50
GABRA4 P48169 3/20 0.50
GABRE P78334 3/20 0.50
GABRA6 Q16445 3/20 0.50
GABRG1 Q8N1C3 3/20 0.50
GABRG3 Q99928 3/20 0.50
GABRQ Q9UN88 3/20 0.50
TRPV1 Q8NER1 5/20 0.48
HDAC6 Q9UBN7 1/20 0.48
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47

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
SCHEMBL6049347 0.84 GABRA1 (0.44) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL6138810 0.82 GABRA1 (0.44) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL23622949 0.78 PRKAB2 (0.63) GABRA1GABRB2F7F3PRKAB2
SCHEMBL17337966 0.76 GABRA1 (0.67) GABRA1GABRB2
SCHEMBL1081795 0.75 F7 (0.66) F7F3
SCHEMBL17337938 0.75 HTR1A (0.54) GABRA1GABRB2
SCHEMBL17337999 0.74 GABRA1 (0.68) GABRA1GABRB2
SCHEMBL6139977 0.74 SMAD3 (0.58) HDAC6F7F3MGLL
SCHEMBL15902273 0.73 GABRA1 (0.55) GABRA1GABRB2PRKAB2PRKAG1PRKAA2
SCHEMBL21002079 0.73 MGLL (0.68) HDAC6MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311477-A4 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2005-01-12 EP disclosed
EP-1311477-A1 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-05-21 EP disclosed
WO-2002016317-A1 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 WO disclosed