SCHEMBL6994465

SCHEMBL6994465

O=C(NO)C1(NS(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)CC2CCC(C1)O2

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 19/20 0.80
MMP13 P45452 17/20 0.80
MMP2 P08253 3/20 0.80
MMP9 P14780 3/20 0.80
MMP3 P08254 2/20 0.80
MMP8 P22894 2/20 0.80
ADAM17 P78536 3/20 0.54
MMP14 P50281 2/20 0.54
MMP12 P39900 1/20 0.54

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
SCHEMBL6994461 1.00 MMP1 (0.80) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7001936 0.91 MMP1 (0.70) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7001933 0.91 MMP1 (0.70) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6994722 0.89 MMP1 (1.00) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6996574 0.89 MMP1 (1.00) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6994719 0.89 MMP1 (1.00) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7311687 0.85 MMP1 (0.69) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6953409 0.85 MMP1 (0.86) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6950890 0.83 MMP1 (1.00) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7209175 0.81 MMP1 (0.89) 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 2 patents. 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 disclosed
US-6110964-A FOR TREATING ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, EMPHYSEMA, ACUTE RESPIRATORY DISTRESS SYNDROME, ASTHMA CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ALZHEIMER'S DISEASE, ORGAN TRANSPLANT TOXICITY, CACHEXIA, CANCER PFIZER INC. (US) 2000-08-29 US disclosed