SCHEMBL6995889

SCHEMBL6995889

O=C(NO)OC1(CS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC2CCC(C1)O2

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 18/20 0.58
MMP13 P45452 14/20 0.58
MMP2 P08253 6/20 0.58
MMP9 P14780 6/20 0.58
MMP3 P08254 5/20 0.58
MMP8 P22894 3/20 0.58
MMP14 P50281 3/20 0.41
MMP12 P39900 1/20 0.41
ADAM17 P78536 2/20 0.41
MMP7 P09237 2/20 0.41
ABCB11 O95342 1/20 0.41
MMP10 P09238 1/20 0.41

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
SCHEMBL6997340 0.90 MMP1 (0.58) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7000007 0.83 MMP13 (0.66) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7002033 0.80 MMP1 (0.55) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7003566 0.78 MMP1 (0.73) MMP1MMP13MMP2MMP9MMP3
SCHEMBL8076215 0.75 MMP1 (0.70) MMP1MMP13MMP2MMP9MMP3
SCHEMBL8076212 0.75 MMP1 (0.70) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6994722 0.74 MMP1 (1.00) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6994719 0.74 MMP1 (1.00) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6996574 0.74 MMP1 (1.00) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6995105 0.74 MMP1 (0.57) MMP1MMP13MMP2MMP9MMP3

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-1070069-B1 BICYCLIC HYDROXAMIC ACID DERIVATIVES PFIZER PROD INC (US) 2003-07-16 EP claimed