SCHEMBL7375728

SCHEMBL7375728

CC(C)(C)[C@H](N)C(=O)O.CCCc1ccc(CCC(CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.49
S1PR1 P21453 2/20 0.49
S1PR3 Q99500 1/20 0.49
MMP2 P08253 11/20 0.47
MMP3 P08254 11/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
CPA3 P15088 1/20 0.41
KIF11 P52732 1/20 0.40

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
SCHEMBL7385943 1.00 S1PR2 (0.49) S1PR2S1PR1S1PR3MMP2MMP3
SCHEMBL7386705 0.88 L3MBTL1 (0.54) S1PR2S1PR1S1PR3MMP2MMP3
SCHEMBL7427004 0.88 L3MBTL1 (0.54) S1PR2S1PR1S1PR3MMP2MMP3
SCHEMBL7365950 0.88 L3MBTL1 (0.54) S1PR2S1PR1S1PR3MMP2MMP3
SCHEMBL7428530 0.84 MMP2 (0.52) MMP2MMP3
SCHEMBL7419061 0.79 MMP2 (0.48) S1PR2S1PR1S1PR3MMP2MMP3
SCHEMBL7422139 0.78 MMP3 (0.47) S1PR2S1PR1S1PR3MMP2MMP3
SCHEMBL21895810 0.77 MMP2 (0.61) S1PR2S1PR1MMP2MMP3
SCHEMBL7382744 0.77 MMP2 (0.55) S1PR2S1PR1S1PR3MMP2MMP3
SCHEMBL7362919 0.77 MMP2 (0.55) S1PR2S1PR1S1PR3MMP2MMP3

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-0946166-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1999-10-06 EP disclosed
WO-1998026773-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1998-06-25 WO disclosed