SCHEMBL7003643

SCHEMBL7003643

O=C(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 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 15/20 0.73
▸ MMP13 P45452 14/20 0.59
▸ MMP2 P08253 5/20 0.59
▸ MMP9 P14780 5/20 0.59
▸ MMP8 P22894 4/20 0.59
▸ MMP3 P08254 4/20 0.59
▸ MMP14 P50281 2/20 0.43
▸ MMP12 P39900 1/20 0.43
▸ LTA4H P09960 1/20 0.40
▸ FFAR1 O14842 1/20 0.38
▸ MMP16 P51512 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ MEP1B Q16820 1/20 0.37

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
SCHEMBL6862104 1.00 MMP1 (0.73) MMP1MMP13MMP2MMP9MMP8
SCHEMBL6996412 0.93 MMP1 (0.61) MMP1MMP13MMP2MMP9MMP8
SCHEMBL6996411 0.93 MMP1 (0.61) MMP1MMP13MMP2MMP9MMP8
SCHEMBL7000066 0.91 MMP1 (0.59) MMP1MMP13MMP2MMP9MMP8
SCHEMBL7000070 0.91 MMP1 (0.59) MMP1MMP13MMP2MMP9MMP8
SCHEMBL6870777 0.90 MMP1 (0.59) MMP1MMP13MMP2MMP9MMP8
SCHEMBL6992588 0.90 MMP1 (0.59) MMP1MMP13MMP2MMP9MMP8
SCHEMBL7143794 0.87 MMP1 (0.73) MMP1MMP13MMP2MMP9MMP8
SCHEMBL7003568 0.85 MMP1 (0.64) MMP1MMP13MMP2MMP9MMP8
SCHEMBL25130 0.84 MMP1 (0.96) 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
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