SCHEMBL7898403

SCHEMBL7898403

COc1ccc(C(=O)c2ccc(S(=O)(=O)C(N)(CC#CCN3CCOCC3)C(=O)O)c(N)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.45
MMP3 P08254 2/20 0.45
MMP13 P45452 2/20 0.45
MMP1 P03956 1/20 0.45
MAPT P10636 3/20 0.40
CNR1 P21554 2/20 0.39
ALDH1A1 P00352 3/20 0.39
CNR2 P34972 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7901564 0.93 MMP13 (0.44) MMP2MMP3MMP13MMP1MAPT
SCHEMBL7454044 0.81 MMP2 (0.49) MMP2MMP3MMP13MMP1ALDH1A1
SCHEMBL7509339 0.81 MMP13 (0.61) MMP2MMP3MMP13MMP1ALDH1A1
SCHEMBL7516046 0.75 MMP13 (0.48) MMP2MMP3MMP13MMP1ALDH1A1
SCHEMBL7513672 0.74 MMP13 (0.59) MMP2MMP3MMP13MMP1ALDH1A1
SCHEMBL7901571 0.72 MMP13 (0.59) MMP2MMP3MMP13MMP1ALDH1A1
SCHEMBL7506693 0.71 MMP2 (0.51) MMP2MMP3MMP13MMP1ALDH1A1
SCHEMBL7899844 0.70 MMP2 (0.59) MMP2MMP3MMP13MMP1MAPT
SCHEMBL7455842 0.69 MMP2 (0.50) MMP2MMP3MMP13MAPTALDH1A1
SCHEMBL7898416 0.68 MMP2 (0.62) MMP2MMP3MMP13MMP1ALDH1A1

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