SCHEMBL7311882

SCHEMBL7311882

COc1ccc(SC2CCCC2C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
CTSK P43235 1/20 0.41
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PDPK1 O15530 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
DGAT1 O75907 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7311871 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MMP2MMP9KMT2AMEN1
SCHEMBL7311878 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MMP2MMP9KMT2AMEN1
SCHEMBL7308764 0.97 SMN1; SMN2 (0.47) SMN1; SMN2MMP2MMP9KMT2AMEN1
SCHEMBL31630289 0.87 MMP2 (0.43) SMN1; SMN2MMP2MMP9DDB1CRBN
SCHEMBL31630212 0.83 TSHR (0.43) SMN1; SMN2MMP2MMP9KMT2AMEN1
SCHEMBL31629893 0.83 TSHR (0.43) SMN1; SMN2MMP2MMP9KMT2AMEN1
SCHEMBL7859308 0.81 GRM6 (0.42) KMT2AMEN1GAAL3MBTL1DGAT1
SCHEMBL7859310 0.81 GRM6 (0.42) KMT2AMEN1GAAL3MBTL1DGAT1
SCHEMBL7859306 0.81 GRM6 (0.42) KMT2AMEN1GAAL3MBTL1DGAT1
SCHEMBL7310798 0.80 MMP2 (0.41) SMN1; SMN2MMP2MMP9KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed