SCHEMBL6976697

SCHEMBL6976697

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BIRC2 Q13490 2/20 0.40
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
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
EPHX1 P07099 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
ACHE P22303 6/20 0.38
HRH3 Q9Y5N1 3/20 0.38
HRH4 Q9H3N8 2/20 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
SCHEMBL6977424 0.87 TAS1R3 (0.44) MAPTHSD17B10BIRC2NPC1RAB9A
SCHEMBL6983765 0.84 BIRC2 (0.43) BIRC2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5199197 0.83 ACHE (0.44) CA1CA2EPHX1TAS1R3TAS1R1
SCHEMBL5199193 0.83 ACHE (0.44) CA1CA2EPHX1TAS1R3TAS1R1
SCHEMBL4632761 0.83 CHRNB2 (0.50) MAPTHSD17B10BIRC2NPC1RAB9A
SCHEMBL12296373 0.82 HDAC2 (0.48) BIRC2L3MBTL1CA1CA2EPHX1
SCHEMBL5198185 0.82 ZDHHC7 (0.42) BIRC2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4778608 0.82 CA1 (0.41) BIRC2CA1CA2EPHX1TAS1R3
SCHEMBL1696818 0.81 CA1 (0.46) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL20683487 0.81 CA1 (0.46) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1

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