SCHEMBL7001933

SCHEMBL7001933

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

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.70
MMP13 P45452 9/20 0.70
MMP9 P14780 5/20 0.66
MMP2 P08253 4/20 0.66
MMP3 P08254 2/20 0.66
MMP8 P22894 1/20 0.66
ADAM17 P78536 9/20 0.52
MMP14 P50281 3/20 0.52
ADAMTS4 O75173 1/20 0.52
ADAMTS5 Q9UNA0 1/20 0.52
MMP10 P09238 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ADAM33 Q9BZ11 1/20 0.46

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
SCHEMBL7001936 1.00 MMP1 (0.70) MMP1MMP13MMP9MMP2MMP3
SCHEMBL6994461 0.91 MMP1 (0.80) MMP1MMP13MMP9MMP2MMP3
SCHEMBL6994465 0.91 MMP1 (0.80) MMP1MMP13MMP9MMP2MMP3
SCHEMBL7001256 0.86 MMP1 (0.82) MMP1MMP13MMP9MMP2MMP3
SCHEMBL7001259 0.86 MMP1 (0.82) MMP1MMP13MMP9MMP2MMP3
SCHEMBL8474485 0.86 MMP1 (0.70) MMP1MMP13MMP9MMP2MMP3
SCHEMBL6946809 0.82 MMP1 (1.00) MMP1MMP13MMP9MMP2MMP3
SCHEMBL7003805 0.82 MMP1 (0.52) MMP1MMP13MMP9MMP2MMP3
SCHEMBL7003802 0.82 MMP1 (0.52) MMP1MMP13MMP9MMP2MMP3
SCHEMBL7000970 0.82 MMP1 (0.74) MMP1MMP13MMP9MMP2MMP3

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