SCHEMBL7314646

SCHEMBL7314646

CC(=O)N1CCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)C(C(=O)NO)C1C

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 18/20 0.68
MMP1 P03956 17/20 0.68
MMP13 P45452 17/20 0.68
MMP9 P14780 3/20 0.59
ADAM10 O14672 2/20 0.59
MMP3 P08254 2/20 0.59
ADAM9 Q13443 2/20 0.59

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
SCHEMBL7319962 0.93 ADAM17 (0.70) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL7318258 0.93 ADAM17 (0.68) ADAM17MMP1MMP13MMP9
SCHEMBL7314817 0.92 ADAM17 (0.69) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL7322513 0.89 ADAM17 (0.66) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL7314858 0.89 ADAM17 (0.66) ADAM17MMP1MMP13MMP9ADAM10
SCHEMBL7316686 0.88 ADAM17 (0.65) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL7321780 0.88 ADAM17 (0.65) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL7323812 0.88 ADAM17 (0.70) ADAM17MMP1MMP13MMP9
SCHEMBL7352903 0.88 ADAM17 (0.64) ADAM17MMP1MMP13MMP9
SCHEMBL7325797 0.87 ADAM17 (0.63) ADAM17MMP1MMP13MMP9

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-6387901-B1 ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS PFIZER INC 2002-05-14 US disclosed