SCHEMBL6947588

SCHEMBL6947588

N#Cc1ccc(OC2CCN(S(=O)(=O)CC3(OC(=O)O)CCOCC3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.49
MMP14 P50281 4/20 0.49
HRH3 Q9Y5N1 10/20 0.44
FPR2 P25090 1/20 0.43
PROKR1 Q8TCW9 1/20 0.43
ADAM10 O14672 1/20 0.43
MMP2 P08253 1/20 0.43
RORA P35398 1/20 0.41
RORC P51449 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
MMP12 P39900 2/20 0.40

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
SCHEMBL6950104 0.90 MMP13 (0.47) MMP13MMP14HRH3FPR2PROKR1
SCHEMBL6952614 0.87 MMP13 (0.52) MMP13MMP14HRH3FPR2PROKR1
SCHEMBL6943119 0.87 MMP13 (0.52) MMP13MMP14HRH3FPR2PROKR1
SCHEMBL6943318 0.82 ADAM10 (0.59) MMP13MMP14ADAM10MMP2
SCHEMBL6943142 0.81 HRH3 (0.49) MMP13MMP14HRH3FPR2PROKR1
SCHEMBL6954248 0.75 MMP13 (0.47) MMP13MMP14HRH3FPR2PROKR1
SCHEMBL6948792 0.73 MMP13 (0.56) MMP13MMP14HRH3FPR2PROKR1
SCHEMBL2706929 0.73 HRH3 (0.56) MMP13MMP14HRH3FPR2PROKR1
SCHEMBL6035783 0.71 MMP13 (0.58) MMP13MMP14FPR2PROKR1MMP2
SCHEMBL13596766 0.70 MMP13 (0.88) MMP13MMP14MMP12

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