SCHEMBL6992588

SCHEMBL6992588

CCOC(=O)CCN([C@]1(C(=O)NO)C[C@H]2CC[C@@H](C1)O2)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 15/20 0.59
MMP13 P45452 14/20 0.54
MMP2 P08253 3/20 0.54
MMP9 P14780 3/20 0.54
MMP3 P08254 2/20 0.54
MMP8 P22894 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.41
MMP14 P50281 2/20 0.39
MMP12 P39900 1/20 0.39
CETP P11597 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LTA4H P09960 1/20 0.35

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
SCHEMBL6870777 1.00 MMP1 (0.59) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6998236 0.92 MMP1 (0.54) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6998238 0.92 MMP1 (0.54) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6862333 0.91 MMP1 (0.50) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6871476 0.90 MMP1 (0.47) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7003643 0.90 MMP1 (0.73) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6862104 0.90 MMP1 (0.73) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6691684 0.86 MMP1 (0.79) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6813091 0.86 MMP1 (0.76) MMP1MMP13MMP2MMP9MMP3
SCHEMBL6813262 0.85 MMP1 (0.67) 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