SCHEMBL6950104

SCHEMBL6950104

N#Cc1ccc(OC2CCN(S(=O)(=O)CC3(OC(=O)NO)CCOCC3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.47
MMP14 P50281 2/20 0.47
ADAM10 O14672 4/20 0.46
MMP2 P08253 2/20 0.46
HRH3 Q9Y5N1 9/20 0.42
MMP1 P03956 1/20 0.42
FPR2 P25090 1/20 0.41
PROKR1 Q8TCW9 1/20 0.41
RORA P35398 1/20 0.40
RORC P51449 1/20 0.40
EPHX2 P34913 1/20 0.39
GPR119 Q8TDV5 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
SCHEMBL6947588 0.90 MMP13 (0.49) MMP13MMP14ADAM10MMP2HRH3
SCHEMBL6943318 0.85 ADAM10 (0.59) MMP13MMP14ADAM10MMP2MMP1
SCHEMBL6943119 0.82 MMP13 (0.52) MMP13MMP14ADAM10MMP2HRH3
SCHEMBL6943142 0.79 HRH3 (0.49) MMP13MMP14ADAM10MMP2HRH3
SCHEMBL6952614 0.78 MMP13 (0.52) MMP13MMP14MMP2HRH3MMP1
SCHEMBL6950652 0.73 MMP2 (0.58) MMP13MMP14ADAM10MMP2MMP1
SCHEMBL6954248 0.71 MMP13 (0.47) MMP13MMP14ADAM10MMP2HRH3
SCHEMBL2706929 0.71 HRH3 (0.56) MMP13MMP14HRH3FPR2PROKR1
SCHEMBL6035791 0.71 MMP13 (0.53) MMP13MMP14ADAM10MMP2MMP1
SCHEMBL6948792 0.69 MMP13 (0.56) MMP13MMP14MMP2HRH3MMP1

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
EP-1030836-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2003-01-29 EP claimed