SCHEMBL8000446

SCHEMBL8000446

CCCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 20/20 0.84
MMP13 P45452 20/20 0.84
MMP1 P03956 19/20 0.84
ADAM17 P78536 16/20 0.84
ADAMTS4 O75173 1/20 0.69
MMP2 P08253 1/20 0.69
MMP3 P08254 1/20 0.69
MMP7 P09237 1/20 0.69
MMP8 P22894 1/20 0.69
MMP14 P50281 1/20 0.69
ADAMTS5 Q9UNA0 1/20 0.69

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
SCHEMBL7410606 0.91 MMP9 (1.00) MMP9MMP13MMP1ADAM17
SCHEMBL7406630 0.91 MMP9 (0.70) MMP9MMP13MMP1ADAM17ADAMTS4
SCHEMBL6565576 0.91 MMP9 (1.00) MMP9MMP13MMP1ADAM17ADAMTS4
SCHEMBL7410569 0.88 MMP1 (0.66) MMP9MMP13MMP1ADAM17
SCHEMBL6567132 0.85 MMP9 (1.00) MMP9MMP13MMP1ADAM17
SCHEMBL6565402 0.85 MMP9 (1.00) MMP9MMP13MMP1ADAM17
SCHEMBL7404116 0.84 MMP13 (1.00) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7987992 0.84 MMP9 (0.85) MMP9MMP13MMP1ADAM17
SCHEMBL6568307 0.84 MMP9 (1.00) MMP9MMP13MMP1ADAM17
SCHEMBL7409556 0.83 MMP9 (0.82) MMP9MMP13MMP1ADAM17

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288086-B1 COMPOUNDS SUCH AS 1-METHYL-4-(4-BUTOXY-BENZENESULFONYL) -PIPERIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE USED TO TREAT ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, ETC.; LOW MOLECULAR WEIGHT AND NON-PEPTIDAL AMERICAN CYANAMID COMPANY 2001-09-11 US disclosed