SCHEMBL6977424

SCHEMBL6977424

CCCCOC(=O)NC(CC(C)C(C)C)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
BIRC2 Q13490 3/20 0.43
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX1 P07099 1/20 0.40
ACHE P22303 6/20 0.39
FOLH1 Q04609 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL6976697 0.87 MAPT (0.41) TAS1R3TAS1R1BIRC2MAPTHSD17B10
SCHEMBL30174611 0.84 BIRC2 (0.54) TAS1R3TAS1R1BIRC2EPHX1ACHE
SCHEMBL4632006 0.82 CHRNB2 (0.44) TAS1R3TAS1R1BIRC2MAPTHSD17B10
SCHEMBL20683487 0.82 CA1 (0.46) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL1696818 0.82 CA1 (0.46) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL5744322 0.81 TAS1R3 (0.41) TAS1R3TAS1R1BIRC2MAPTHSD17B10
SCHEMBL2344660 0.81 EPHX1 (0.44) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL9006019 0.80 EPHX1 (0.43) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL2345217 0.80 EPHX1 (0.43) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL10703068 0.80 TAS1R3 (0.44) TAS1R3TAS1R1BIRC2NPC1RAB9A

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-1282594-A1 BRANCHED AMINO ACIDS Medivir UK Ltd (GB) 2003-02-12 EP disclosed
WO-2001087821-A1 BRANCHED AMINO ACIDS MEDIVIR UK LIMITED (GB) 2001-11-22 WO disclosed