SCHEMBL7367245

SCHEMBL7367245

CCCCCCC(C[C@@H](CCc1ccc(CCC)cc1)C(=O)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.60
MMP3 P08254 14/20 0.60
GRIK1 P39086 2/20 0.55
GRIK2 Q13002 2/20 0.55
SLC1A2 P43004 1/20 0.53
SLC1A1 P43005 1/20 0.53
S1PR2 O95136 3/20 0.51
S1PR1 P21453 3/20 0.51
S1PR3 Q99500 2/20 0.50
S1PR4 O95977 1/20 0.47

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
SCHEMBL7422973 0.94 MMP2 (0.67) MMP2MMP3SLC1A2SLC1A1
SCHEMBL7422976 0.94 MMP2 (0.67) MMP2MMP3SLC1A2SLC1A1
SCHEMBL27541801 0.92 S1PR2 (0.55) MMP2MMP3GRIK1GRIK2SLC1A2
SCHEMBL21895810 0.89 MMP2 (0.61) MMP2MMP3S1PR2S1PR1
SCHEMBL7478270 0.88 MMP2 (0.54) MMP2MMP3GRIK1GRIK2SLC1A2
SCHEMBL7382744 0.88 MMP2 (0.55) MMP2MMP3GRIK1S1PR2S1PR1
SCHEMBL7362919 0.88 MMP2 (0.55) MMP2MMP3GRIK1S1PR2S1PR1
SCHEMBL5699299 0.86 ALDH1A1 (0.57) MMP2MMP3GRIK1GRIK2SLC1A2
SCHEMBL5699267 0.86 ALDH1A1 (0.57) MMP2MMP3GRIK1GRIK2SLC1A2
SCHEMBL8905851 0.86 MMP2 (0.55) MMP2MMP3GRIK1GRIK2S1PR2

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-1028716-A1 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 2000-08-23 EP disclosed
WO-1998025597-A2 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 1998-06-18 WO disclosed