SCHEMBL6994480

SCHEMBL6994480

COc1ccc(S(=O)(=O)CC2(C(=O)NO)CC3CCC(C2)O3)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 15/20 0.49
MMP2 P08253 13/20 0.49
ADAM17 P78536 12/20 0.49
MMP1 P03956 8/20 0.49
MMP9 P14780 6/20 0.49
MMP14 P50281 5/20 0.49
MMP8 P22894 3/20 0.49
MMP3 P08254 2/20 0.49
ABCB11 O95342 1/20 0.49
MMP7 P09237 1/20 0.49
MMP10 P09238 1/20 0.49
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL6994478 1.00 MMP13 (0.49) MMP13MMP2ADAM17MMP1MMP9
SCHEMBL6995105 0.87 MMP1 (0.57) MMP13MMP2ADAM17MMP1MMP9
SCHEMBL7000007 0.86 MMP13 (0.66) MMP13MMP2ADAM17MMP1MMP9
SCHEMBL6994368 0.86 MMP1 (0.69) MMP13MMP2ADAM17MMP1MMP9
SCHEMBL6994365 0.86 MMP1 (0.69) MMP13MMP2ADAM17MMP1MMP9
SCHEMBL7000964 0.85 MMP13 (0.53) MMP13MMP2ADAM17MMP1MMP9
SCHEMBL7000967 0.85 MMP13 (0.53) MMP13MMP2ADAM17MMP1MMP9
SCHEMBL7003802 0.83 MMP1 (0.52) MMP13MMP2ADAM17MMP1MMP9
SCHEMBL7003805 0.83 MMP1 (0.52) MMP13MMP2ADAM17MMP1MMP9
SCHEMBL7000970 0.78 MMP1 (0.74) MMP13MMP2MMP1MMP9MMP14

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