SCHEMBL7953565

SCHEMBL7953565

C[C@@H]([C@@H](CCCc1ccc(-c2ccccc2)cc1)C(=O)O)N(O)C=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 3/20 0.43
MMP12 P39900 4/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
MME P08473 1/20 0.40
HDAC2 Q92769 2/20 0.40
FFAR1 O14842 1/20 0.40
RARB P10826 1/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
HDAC1 Q13547 1/20 0.39
TLL1 O43897 1/20 0.39
BMP1 P13497 1/20 0.39
TLL2 Q9Y6L7 1/20 0.39

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
SCHEMBL4290877 0.92 GRIK1 (0.43)
SCHEMBL7879161 0.92 GRIK1 (0.43)
SCHEMBL7873373 0.88 LTB4R (0.44)
SCHEMBL7876532 0.87 LTB4R (0.46)
SCHEMBL7946312 0.87 DPP4 (0.38) FDFT1FFAR1
SCHEMBL7874835 0.87 FFAR1 (0.44) FDFT1MMP12MMP2MMP9MMP13
SCHEMBL7431816 0.86 PPARA (0.47) HDAC2HDAC1
SCHEMBL7876539 0.84 SMN1; SMN2 (0.46)
SCHEMBL7879203 0.84 LMNA (0.41) HDAC2HDAC1
SCHEMBL7879149 0.83 FDFT1 (0.41) FDFT1MMP2FFAR1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172064-B1 METALLOPROTEASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIDIABETIC AGENTS; ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-01-09 US disclosed