SCHEMBL7305973

SCHEMBL7305973

O=C(O)C1(CSc2ccc(Oc3ccc(Br)cc3)cc2)CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.42
MMP1 P03956 7/20 0.40
MMP13 P45452 5/20 0.40
MMP14 P50281 4/20 0.40
MMP2 P08253 4/20 0.40
MMP3 P08254 4/20 0.40
MMP9 P14780 4/20 0.40
MMP8 P22894 4/20 0.40
ABCB11 O95342 1/20 0.40
MMP7 P09237 1/20 0.40
MMP10 P09238 1/20 0.40
ADAM17 P78536 1/20 0.40
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
SRD5A2 P31213 1/20 0.36

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
SCHEMBL2409029 0.88 MMP1 (0.50) ALDH1A1MMP1MMP13MMP14MMP2
SCHEMBL7303606 0.88 MMP1 (0.43) ALDH1A1MMP1MMP13MMP14MMP2
SCHEMBL7305199 0.85 KMT2A (0.39) MEN1KMT2AALDH1A1MMP1MMP13
SCHEMBL7313882 0.81 MMP1 (0.55) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7304697 0.77 MMP1 (0.54) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7304591 0.77 MMP1 (0.64) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7306941 0.77 MMP1 (0.64) MMP1MMP13MMP14MMP2MMP3
SCHEMBL6266578 0.76 ADAM17 (0.43) MMP1MMP13MMP14MMP2MMP9
SCHEMBL7311124 0.75 MMP1 (0.41) MEN1KMT2AALDH1A1MMP1MMP13
SCHEMBL7308927 0.75 MMP1 (0.50) ALDH1A1MMP1MMP13MMP14MMP2

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-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed