SCHEMBL7003802

SCHEMBL7003802

O=C(NO)[C@@]1(CS(=O)(=O)c2ccc(OCc3ccccc3)cc2)C[C@H]2CC[C@@H](C1)O2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.52
MMP13 P45452 8/20 0.52
MMP2 P08253 8/20 0.49
MMP9 P14780 6/20 0.49
MMP3 P08254 3/20 0.49
ADAM17 P78536 13/20 0.48
MMP14 P50281 5/20 0.48
ADAMTS4 O75173 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
MMP10 P09238 2/20 0.46
ABCB11 O95342 1/20 0.45
MMP7 P09237 1/20 0.45
MMP8 P22894 1/20 0.45

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
SCHEMBL7003805 1.00 MMP1 (0.52) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6995105 0.88 MMP1 (0.57) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6994480 0.83 MMP13 (0.49) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6994478 0.83 MMP13 (0.49) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7001933 0.82 MMP1 (0.70) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7001936 0.82 MMP1 (0.70) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6994368 0.81 MMP1 (0.69) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6994365 0.81 MMP1 (0.69) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7000007 0.81 MMP13 (0.66) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7000964 0.80 MMP13 (0.53) 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