SCHEMBL7308764

SCHEMBL7308764

COc1ccc(SC2CCCCC2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CTSK P43235 1/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MAPK1 P28482 1/20 0.40
EPHX2 P34913 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
EPHX1 P07099 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDPK1 O15530 1/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 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
SCHEMBL7311878 0.97 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1NPSR1CTSK
SCHEMBL7311871 0.97 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1NPSR1CTSK
SCHEMBL7311882 0.97 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1NPSR1CTSK
SCHEMBL31630289 0.84 MMP2 (0.43) SMN1; SMN2CTSKDDB1CRBNMMP2
SCHEMBL7305924 0.80 CTSK (0.43) SMN1; SMN2KMT2AMEN1NPSR1CTSK
SCHEMBL31630212 0.80 TSHR (0.43) SMN1; SMN2KMT2AMEN1CTSKDDB1
SCHEMBL31629893 0.80 TSHR (0.43) SMN1; SMN2KMT2AMEN1CTSKDDB1
SCHEMBL9380229 0.79 ALDH1A1 (0.45) SMN1; SMN2KMT2ACTSKDDB1CRBN
SCHEMBL10943286 0.79 CTSK (0.50) SMN1; SMN2KMT2AMEN1NPSR1CTSK
SCHEMBL10943291 0.79 CTSK (0.50) SMN1; SMN2KMT2AMEN1NPSR1CTSK

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