SCHEMBL7987992

SCHEMBL7987992

CCCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCN(Cc3ccc(C)cc3)CC2)cc1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 19/20 0.85
MMP13 P45452 19/20 0.85
MMP1 P03956 18/20 0.85
ADAM17 P78536 17/20 0.85

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
SCHEMBL6565576 0.92 MMP9 (1.00) MMP9MMP13MMP1ADAM17
SCHEMBL6568307 0.92 MMP9 (1.00) MMP9MMP13MMP1ADAM17
SCHEMBL6565449 0.91 MMP9 (1.00) MMP9MMP13MMP1ADAM17
SCHEMBL7533217 0.90 MMP13 (0.82) MMP9MMP13MMP1ADAM17
SCHEMBL7408806 0.90 MMP9 (0.72) MMP9MMP13MMP1ADAM17
SCHEMBL8000938 0.90 MMP9 (0.81) MMP9MMP13MMP1ADAM17
SCHEMBL7409178 0.89 MMP9 (1.00) MMP9MMP13MMP1ADAM17
SCHEMBL7404116 0.89 MMP13 (1.00) MMP9MMP13MMP1ADAM17
SCHEMBL7412724 0.88 MEN1 (0.76) MMP9MMP13MMP1ADAM17
SCHEMBL7628350 0.88 MMP9 (1.00) 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