SCHEMBL6996412

SCHEMBL6996412

O=C(O)CCN(C1(C(=O)NO)CC2CCC(C1)O2)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 12/20 0.61
MMP13 P45452 11/20 0.48
MMP2 P08253 9/20 0.48
MMP9 P14780 6/20 0.48
MMP8 P22894 6/20 0.48
MMP3 P08254 5/20 0.48
MMP14 P50281 6/20 0.45
MMP16 P51512 2/20 0.45
ADAM17 P78536 1/20 0.41
ADAMTS4 O75173 2/20 0.40
ADAMTS5 Q9UNA0 2/20 0.40
LMNA P02545 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
MEP1B Q16820 1/20 0.39
PTGES O14684 2/20 0.39
LTA4H P09960 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL6996411 1.00 MMP1 (0.61) MMP1MMP13MMP2MMP9MMP8
SCHEMBL7000070 0.93 MMP1 (0.59) MMP1MMP13MMP2MMP9MMP8
SCHEMBL6862104 0.93 MMP1 (0.73) MMP1MMP13MMP2MMP9MMP8
SCHEMBL7000066 0.93 MMP1 (0.59) MMP1MMP13MMP2MMP9MMP8
SCHEMBL7003643 0.93 MMP1 (0.73) MMP1MMP13MMP2MMP9MMP8
SCHEMBL6699509 0.84 MMP1 (0.84) MMP1MMP13MMP2MMP9MMP8
SCHEMBL6876444 0.84 MMP1 (0.81) MMP1MMP13MMP2MMP9MMP8
SCHEMBL6873149 0.83 MMP1 (0.70) MMP1MMP13MMP2MMP9MMP8
SCHEMBL7140679 0.83 MMP1 (0.55) MMP1MMP13MMP2MMP9MMP8
SCHEMBL6992588 0.82 MMP1 (0.59) MMP1MMP13MMP2MMP9MMP8

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