SCHEMBL4767192

SCHEMBL4767192

CC(C)CC(NC(=O)c1ccc2c(c1)OCO2)C(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)C1=NC=CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 10/20 0.44
TAS1R1 Q7RTX1 10/20 0.44
UTS2R Q9UKP6 1/20 0.35
BACE1 P56817 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4763320 0.88 CTSL (0.37)
SCHEMBL6406632 0.87 TAS1R3 (0.51) TAS1R3TAS1R1UTS2RBACE1ALDH1A1
SCHEMBL4765376 0.86 CTSK (0.31)
SCHEMBL6590804 0.85 CTSL (0.31)
SCHEMBL7422805 0.82 POLB (0.35) ALDH1A1
SCHEMBL4767092 0.81 CTSK (0.44) TAS1R3TAS1R1UTS2R
SCHEMBL4763006 0.81 NPC1 (0.36) ALDH1A1LMNAMAPTL3MBTL1HSD17B10
SCHEMBL4766715 0.81 CTSK (0.37) TAS1R3TAS1R1
SCHEMBL4768775 0.80 GRN (0.45)
SCHEMBL4766746 0.80 CAPN1 (0.34) ALDH1A1LMNAL3MBTL1

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-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed