SCHEMBL7000070

SCHEMBL7000070

O=C(O)CCN(C1(C(=O)NO)CC2CCC(C1)O2)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 18/20 0.59
MMP13 P45452 14/20 0.59
MMP9 P14780 9/20 0.47
MMP2 P08253 4/20 0.47
MMP3 P08254 4/20 0.47
MMP8 P22894 4/20 0.47
ADAM17 P78536 7/20 0.44
MMP7 P09237 3/20 0.44
MMP14 P50281 3/20 0.44
ABCB11 O95342 1/20 0.44
MMP10 P09238 1/20 0.44
DAGLA Q9Y4D2 1/20 0.42
ADAMTS4 O75173 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41

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
SCHEMBL7000066 1.00 MMP1 (0.59) MMP1MMP13MMP9MMP2MMP3
SCHEMBL6996411 0.93 MMP1 (0.61) MMP1MMP13MMP9MMP2MMP3
SCHEMBL6996412 0.93 MMP1 (0.61) MMP1MMP13MMP9MMP2MMP3
SCHEMBL6862104 0.91 MMP1 (0.73) MMP1MMP13MMP9MMP2MMP3
SCHEMBL7003643 0.91 MMP1 (0.73) MMP1MMP13MMP9MMP2MMP3
SCHEMBL6998238 0.90 MMP1 (0.54) MMP1MMP13MMP9MMP2MMP3
SCHEMBL6998236 0.90 MMP1 (0.54) MMP1MMP13MMP9MMP2MMP3
SCHEMBL7330071 0.87 MMP1 (0.59) MMP1MMP13MMP9MMP2MMP3
SCHEMBL6818064 0.84 MMP1 (0.78) MMP1MMP13MMP9MMP2MMP3
SCHEMBL6695057 0.84 MMP1 (0.81) 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