SCHEMBL6169593

SCHEMBL6169593

C[C@H](Nc1ccc(Oc2ccc(Cl)cc2)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
MMP14 P50281 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
NPY5R Q15761 2/20 0.52
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 3/20 0.48
PNLIP P16233 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
FNTA P49354 4/20 0.47
FNTB P49356 4/20 0.47
TSHR P16473 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL6169592 1.00 CA2 (0.56) CA2MMP2MMP9MMP8MMP14
SCHEMBL2282234 0.90 MEN1 (0.57) CA2CA9CA14LMNAMEN1
SCHEMBL669319 0.90 MEN1 (0.57) CA2CA9CA14LMNAMEN1
SCHEMBL1421530 0.90 MEN1 (0.57) CA2CA9CA14LMNAMEN1
SCHEMBL5955145 0.87 MMP2 (0.57) MMP2MMP8MMP14CA9CA14
SCHEMBL5955152 0.87 MMP2 (0.57) MMP2MMP8MMP14CA9CA14
Oxalic Acid SCHEMBL16649321 0.86 MEN1 (0.54) CA2CA9CA14LMNAMEN1
SCHEMBL5954381 0.86 FNTA (0.52) NPY5RKMT2AL3MBTL1FNTAFNTB
SCHEMBL5954378 0.86 FNTA (0.52) NPY5RKMT2AL3MBTL1FNTAFNTB
SCHEMBL5954848 0.85 MEN1 (0.47) MMP2MMP8MMP14CA9CA14

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-1546111-A2 2-THIOHYDANTOINE DERIVATIVE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF DIABETES LABORATOIRES FOURNIER S.A. (FR) 2005-06-29 EP disclosed
WO-2004031160-A2 2-THIOHYDANTOINE DERIVATIVE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF DIABETES LABORATOIRES FOURNIER S.A. (FR) 2004-04-15 WO disclosed