SCHEMBL7901564

SCHEMBL7901564

COC(=O)C(N)(CC#CCN1CCOCC1)S(=O)(=O)c1ccc(C(=O)c2ccc(OC)cc2)cc1N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.44
MMP2 P08253 2/20 0.44
MMP3 P08254 2/20 0.44
MMP1 P03956 2/20 0.44
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
RECQL P46063 1/20 0.38
MMP9 P14780 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL7898403 0.93 MMP2 (0.45) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7516046 0.82 MMP13 (0.48) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7513672 0.82 MMP13 (0.59) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7454044 0.75 MMP2 (0.49) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7550995 0.75 MMP13 (0.44) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7509339 0.74 MMP13 (0.61) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7595438 0.73 MMP13 (0.57) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7446582 0.73 L3MBTL1 (0.47) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7509695 0.71 MMP2 (0.58) MMP13MMP2MMP3MMP1ALDH1A1
SCHEMBL7389414 0.69 MMP3 (0.54) MMP13MMP3MMP1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 US disclosed