SCHEMBL7003568

SCHEMBL7003568

CN(C1(C(=O)NO)CC2CCC(C1)O2)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 18/20 0.64
MMP13 P45452 16/20 0.64
MMP2 P08253 4/20 0.64
MMP9 P14780 4/20 0.64
MMP3 P08254 3/20 0.64
MMP8 P22894 2/20 0.64
MMP12 P39900 1/20 0.46
MMP14 P50281 1/20 0.46
FFAR1 O14842 1/20 0.41
ADAM17 P78536 1/20 0.39

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
SCHEMBL7000879 0.89 MMP1 (0.50) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7000881 0.89 MMP1 (0.50) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7003643 0.85 MMP1 (0.73) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6862104 0.85 MMP1 (0.73) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6992588 0.83 MMP1 (0.59) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6870777 0.83 MMP1 (0.59) MMP1MMP13MMP2MMP9MMP3
SCHEMBL8076215 0.80 MMP1 (0.70) MMP1MMP13MMP2MMP9MMP3
SCHEMBL8076212 0.80 MMP1 (0.70) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7000013 0.78 MMP13 (0.52) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6994722 0.78 MMP1 (1.00) 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