SCHEMBL7653315

SCHEMBL7653315

O=C(N(O)Cc1ccccc1)C1(S(=O)(=O)N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.46
MMP2 P08253 2/20 0.46
MMP14 P50281 2/20 0.43
MMP12 P39900 1/20 0.43
FPR2 P25090 2/20 0.41
PROKR1 Q8TCW9 2/20 0.41
RORC P51449 2/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
CXCR3 P49682 1/20 0.38
LIPE Q05469 2/20 0.38
EPHX2 P34913 4/20 0.38
FAAH O00519 3/20 0.38
SCN9A Q15858 1/20 0.38
HTR2C P28335 1/20 0.37
GCGR P47871 1/20 0.37
HRH1 P35367 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
Hydrochloric Acid SCHEMBL7184147 0.99 MMP13 (0.45) MMP13MMP2MMP14MMP12FPR2
SCHEMBL6394997 0.85 MMP13 (0.45) MMP13MMP2MMP14MMP12FPR2
SCHEMBL6098455 0.85 MMP13 (0.49) MMP13MMP2MMP14MMP12FPR2
Hydrochloric Acid SCHEMBL6688348 0.84 MMP13 (0.45) MMP13MMP2MMP14MMP12FPR2
SCHEMBL7394978 0.82 MMP13 (0.48) MMP13MMP2MMP14MMP12FPR2
SCHEMBL7653321 0.79 MMP13 (0.47) MMP13MMP2MMP14MMP12FPR2
Hydrochloric Acid SCHEMBL7184151 0.78 MMP13 (0.47) MMP13MMP2MMP14MMP12FPR2
SCHEMBL6096440 0.78 MMP13 (0.49) MMP13MMP2MMP14MMP12MMP1
SCHEMBL6095774 0.75 MMP1 (0.54) MMP13MMP2MMP14MMP1MMP3
SCHEMBL6097329 0.75 MMP13 (0.49) MMP13MMP2MMP14MMP12MMP1

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-6448250-B1 INHIBITS THE ACTIVITY OF ONE OR MORE OF THE FOLLOWING MATRIX METALLOPROTEINASES: MMP-2, MMP-9, AND MMP-13, WHILE EXHIBITING SUBSTANTIALLY LESS INHIBITORY ACTIVITY AGAINST MMP-1 G. D. SEARLE & COMPANY 2002-09-10 US disclosed