SCHEMBL7314858

SCHEMBL7314858

CC1C(C(=O)NO)N(S(=O)(=O)c2ccc(OCC#CCO)cc2)CCN1S(C)(=O)=O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.66
MMP1 P03956 17/20 0.66
MMP13 P45452 16/20 0.66
MMP9 P14780 8/20 0.61
MMP3 P08254 3/20 0.61
ADAM10 O14672 2/20 0.61
ADAM9 Q13443 2/20 0.61

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
SCHEMBL7319725 0.92 ADAM17 (0.66) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL7318380 0.92 ADAM17 (0.66) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL7322629 0.91 ADAM17 (0.69) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL7314646 0.89 ADAM17 (0.68) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL7327158 0.89 ADAM17 (0.64) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL7323186 0.88 ADAM17 (0.68) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL7310627 0.88 ADAM17 (0.63) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL7311529 0.88 ADAM17 (0.63) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL7325211 0.87 ADAM17 (0.62) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL7322459 0.86 ADAM17 (0.61) ADAM17MMP1MMP13MMP9MMP3

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