SCHEMBL6983765

SCHEMBL6983765

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 2/20 0.43
TAS1R3 Q7RTX0 3/20 0.42
TAS1R1 Q7RTX1 3/20 0.42
FOLH1 Q04609 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
EPHX1 P07099 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
ACHE P22303 6/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL5553589 0.85 ACHE (0.49) BIRC2TAS1R3TAS1R1CA1CA2
SCHEMBL5199197 0.84 ACHE (0.44) TAS1R3TAS1R1CA1CA2EPHX1
SCHEMBL5199193 0.84 ACHE (0.44) TAS1R3TAS1R1CA1CA2EPHX1
SCHEMBL6976697 0.84 MAPT (0.41) BIRC2TAS1R3TAS1R1HRH3NPC1
SCHEMBL11783967 0.84 ERAP2 (0.46) BIRC2TAS1R3TAS1R1CA1CA2
SCHEMBL10766995 0.84 ERAP2 (0.46) BIRC2TAS1R3TAS1R1CA1CA2
SCHEMBL8823889 0.84 ERAP2 (0.46) BIRC2TAS1R3TAS1R1CA1CA2
SCHEMBL5198185 0.83 ZDHHC7 (0.42) BIRC2TAS1R3TAS1R1NPC1HPGD
SCHEMBL4778608 0.83 CA1 (0.41) BIRC2TAS1R3TAS1R1HRH3CA1
SCHEMBL12296373 0.83 HDAC2 (0.48) BIRC2TAS1R3TAS1R1L3MBTL1CA1

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