SCHEMBL6138810

SCHEMBL6138810

O=C(O)c1c[nH]c2ccc(C#CCCCc3cccc(O)c3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.44
GABRB2 P47870 5/20 0.44
GABRP O00591 3/20 0.44
GABRD O14764 3/20 0.44
GABRB1 P18505 3/20 0.44
GABRG2 P18507 3/20 0.44
GABRB3 P28472 3/20 0.44
GABRA5 P31644 3/20 0.44
GABRA3 P34903 3/20 0.44
GABRA2 P47869 3/20 0.44
GABRA4 P48169 3/20 0.44
GABRE P78334 3/20 0.44
GABRA6 Q16445 3/20 0.44
GABRG1 Q8N1C3 3/20 0.44
GABRG3 Q99928 3/20 0.44
GABRQ Q9UN88 3/20 0.44
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
TRPV1 Q8NER1 5/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL6049274 0.86 GABRA1 (0.40) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL6139981 0.82 GABRA1 (0.50) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL6138803 0.79 SMAD3 (0.49) F7F3FFAR1
SCHEMBL1081795 0.69 F7 (0.66) F7F3
SCHEMBL6049347 0.68 GABRA1 (0.44) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL3816406 0.68 ALDH1A1 (0.50) GABRA1GABRB2GABRB1GABRA3POLB
SCHEMBL6984123 0.67 GABRA1 (0.46) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL1434181 0.67 F7 (0.58) F7F3PRKAB2PRKAG1PRKAA2
SCHEMBL23622949 0.66 PRKAB2 (0.63) GABRA1GABRB2F7F3PRKAB2
SCHEMBL7835246 0.62 TDP1 (0.52) GABRA1GABRB2GABRB1GABRA3

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