SCHEMBL7359550

SCHEMBL7359550

Cc1cc(COc2ccc(S(=O)(=O)CC3(C(=O)NO)CCOCC3)cc2)cc(C)n1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 16/20 0.60
MMP13 P45452 15/20 0.60
MMP2 P08253 13/20 0.60
MMP1 P03956 7/20 0.60
MMP14 P50281 5/20 0.60
MMP9 P14780 4/20 0.60
ABCB11 O95342 1/20 0.60
MMP3 P08254 1/20 0.60
MMP7 P09237 1/20 0.60
MMP10 P09238 1/20 0.60
MMP8 P22894 1/20 0.60

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
Trifluoroacetic Acid SCHEMBL7942839 0.94 ADAM17 (0.54) ADAM17MMP13MMP2MMP1MMP14
SCHEMBL7429059 0.91 ADAM17 (0.58) ADAM17MMP13MMP2MMP1MMP14
SCHEMBL7429048 0.83 MMP13 (0.58) ADAM17MMP13MMP2MMP1MMP14
SCHEMBL3940023 0.78 MMP2 (0.79) ADAM17MMP13MMP2MMP1MMP14
SCHEMBL3984079 0.77 MMP1 (0.80) ADAM17MMP13MMP2MMP1MMP14
SCHEMBL7353427 0.77 ADAM17 (0.57) ADAM17MMP13MMP2MMP1MMP14
SCHEMBL7308448 0.76 MMP1 (0.81) ADAM17MMP13MMP2MMP1MMP14
SCHEMBL7306093 0.76 MMP1 (0.81) ADAM17MMP13MMP2MMP1MMP14
SCHEMBL7356665 0.76 ADAM17 (0.56) ADAM17MMP13MMP2MMP1MMP14
SCHEMBL7355311 0.76 MMP13 (0.54) ADAM17MMP13MMP2MMP1MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6268379-B1 Substituted aryl hydroxamic acids as metalloproteinase inhibitors DUPONT PHARMACEUTICALS COMPANY 2001-07-31 US claimed
EP-1077974-A1 SUBSTITUTED ARYL HYDROXAMIC ACIDS AS METALLOPROTEINASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-02-28 EP claimed
WO-1999058528-A1 SUBSTITUTED ARYL HYDROXAMIC ACIDS AS METALLOPROTEINASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY. (US) 1999-11-18 WO claimed
US-6268379-B1 Substituted aryl hydroxamic acids as metalloproteinase inhibitors DUPONT PHARMACEUTICALS COMPANY 2001-07-31 US disclosed