SCHEMBL4764936

SCHEMBL4764936

COc1cccc2cc(C(=O)N[C@@H](CC(C)C)C(=O)N(C3CCCNCC3=O)S(=O)(=O)c3ccccc3F)oc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
BMP1 P13497 4/20 0.36
MMP12 P39900 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRNA7 P36544 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CTSK P43235 4/20 0.35
MMP2 P08253 1/20 0.35
MMP14 P50281 1/20 0.35
MCHR1 Q99705 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
CTSL P07711 2/20 0.34
CTSS P25774 2/20 0.34
CTSV O60911 1/20 0.34
CTSB P07858 1/20 0.34

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
SCHEMBL4764937 1.00 TAS1R3 (0.37) TAS1R3TAS1R1BMP1MMP12ALDH1A1
SCHEMBL4766721 0.89 CTSK (0.46) TAS1R3TAS1R1CTSKCTSLCTSS
SCHEMBL4766723 0.89 CTSK (0.46) TAS1R3TAS1R1CTSKCTSLCTSS
SCHEMBL4765077 0.88 ALDH1A1 (0.37) TAS1R3TAS1R1BMP1MMP12ALDH1A1
SCHEMBL4763065 0.88 MMP2 (0.37) TAS1R3TAS1R1ALDH1A1KDM4ERAB9A
SCHEMBL4767072 0.88 TAS1R3 (0.38) TAS1R3TAS1R1BMP1MMP12ALDH1A1
SCHEMBL4767079 0.88 TAS1R3 (0.38) TAS1R3TAS1R1BMP1MMP12ALDH1A1
SCHEMBL4761879 0.88 MMP2 (0.37) TAS1R3TAS1R1ALDH1A1KDM4ERAB9A
SCHEMBL4770801 0.87 TAS1R3 (0.49) TAS1R3TAS1R1CTSKCTSLCTSS
SCHEMBL4770805 0.87 TAS1R3 (0.49) TAS1R3TAS1R1CTSKCTSLCTSS

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