SCHEMBL6571559

SCHEMBL6571559

C=CCO[C@H](C(=O)O)[C@@H](CC1CCc2ccccc2C1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.40
FCER2 P06734 2/20 0.40
MMP9 P14780 2/20 0.40
MMP3 P08254 1/20 0.40
PREP P48147 8/20 0.36
TPH1 P17752 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
PPARG P37231 1/20 0.35
HTR1A P08908 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
CYP19A1 P11511 1/20 0.34
NPY1R P25929 1/20 0.34
NPY5R Q15761 1/20 0.34
DGAT1 O75907 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
SCHEMBL27577603 1.00 MMP1 (0.40) MMP1FCER2MMP9MMP3PREP
SCHEMBL6571554 1.00 MMP1 (0.40) MMP1FCER2MMP9MMP3PREP
SCHEMBL6570360 0.83 MMP1 (0.42) MMP1FCER2MMP9MMP3PREP
SCHEMBL6570364 0.83 MMP1 (0.42) MMP1FCER2MMP9MMP3PREP
SCHEMBL27572977 0.83 MMP1 (0.42) MMP1FCER2MMP9MMP3PREP
SCHEMBL7809851 0.78 MMP1 (0.52) MMP1FCER2MMP9MMP3PREP
SCHEMBL6571514 0.78 MMP1 (0.52) MMP1FCER2MMP9MMP3PREP
SCHEMBL6571517 0.78 MMP1 (0.52) MMP1FCER2MMP9MMP3PREP
SCHEMBL6573689 0.78 MMP1 (0.52) MMP1FCER2MMP9MMP3PREP
SCHEMBL6571500 0.75 MMP1 (0.42) MMP1FCER2MMP9MMP3TPH1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089963-B1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF THE PRODUCTION OF HUMAN CD23 AND OF THE TNF RELEASE SMITHKLINE BEECHAM PLC (GB) 2004-06-16 EP disclosed
US-6458779-B1 TREATMENT OF CONDITIONS ASSOCIATED WITH EXCESS PRODUCTION OF SOLUBLE CD23 (S-CD23) SUCH AS AUTOIMMUNE DISEASE AND ALLERGY. THE COMPOUNDS OF THE INVENTION ARE ALSO INHIBITORS OF THE RELEASE OF TUMOUR NECROSIS FACTOR (TNF). SMITHKLINE BEECHAM P.L.C. (GB) 2002-10-01 US disclosed
EP-1089963-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF THE PRODUCTION OF HUMAN CD23 AND OF THE TNF RELEASE SMITHKLINE BEECHAM PLC (GB) 2001-04-11 EP disclosed
WO-1999067201-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF THE PRODUCTION OF HUMAN CD23 AND OF THE TNF RELEASE SMITHKLINE BEECHAM PLC (GB) 1999-12-29 WO disclosed