SCHEMBL6994418

SCHEMBL6994418

O=C(NO)[C@@]1(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C[C@H]2CC[C@@H](C1)O2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 20/20 1.00
MMP13 P45452 20/20 1.00
MMP2 P08253 2/20 0.80
MMP3 P08254 2/20 0.80
MMP9 P14780 2/20 0.80
MMP8 P22894 2/20 0.80
MMP12 P39900 1/20 0.53
MMP14 P50281 1/20 0.53

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
SCHEMBL6994423 1.00 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7001256 0.90 MMP1 (0.82) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7001259 0.90 MMP1 (0.82) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6994719 0.89 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6996574 0.89 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6994722 0.89 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7000080 0.88 MMP1 (0.79) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7000077 0.88 MMP1 (0.79) MMP1MMP13MMP2MMP3MMP9
SCHEMBL250645 0.86 MMP1 (0.76) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7000970 0.85 MMP1 (0.74) MMP1MMP13MMP2MMP3MMP9

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