SCHEMBL7302178

SCHEMBL7302178

CCOC(=O)C1(CSc2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.46
MMP13 P45452 3/20 0.46
ABCB11 O95342 2/20 0.46
MMP2 P08253 2/20 0.46
MMP3 P08254 2/20 0.46
MMP7 P09237 2/20 0.46
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
MMP14 P50281 2/20 0.46
MMP10 P09238 1/20 0.46
ADAM17 P78536 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
FKBP1A P62942 1/20 0.39
POLB P06746 1/20 0.39
OPRM1 P35372 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
SCHEMBL7305199 0.89 KMT2A (0.39) MMP1MMP13ABCB11MMP2MMP3
SCHEMBL7308927 0.89 MMP1 (0.50) MMP1MMP13ABCB11MMP2MMP3
SCHEMBL2409029 0.85 MMP1 (0.50) MMP1MMP13ABCB11MMP2MMP3
SCHEMBL7304591 0.82 MMP1 (0.64) MMP1MMP13ABCB11MMP2MMP3
SCHEMBL7305973 0.73 MEN1 (0.43) MMP1MMP13ABCB11MMP2MMP3
SCHEMBL7303606 0.73 MMP1 (0.43) MMP1MMP13ABCB11MMP2MMP3
SCHEMBL7409066 0.72 ALDH1A1 (0.53) ABCB11MEN1KMT2AMAPTLMNA
SCHEMBL7313882 0.71 MMP1 (0.55) MMP1MMP13ABCB11MMP2MMP3
SCHEMBL7304697 0.70 MMP1 (0.54) MMP1MMP13ABCB11MMP2MMP3
SCHEMBL6790862 0.70 ALDH1A1 (0.43) MEN1KMT2AMAPTMAPK1LMNA

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