SCHEMBL8320135

SCHEMBL8320135

CCCCc1ccc(C(=O)C2CCN(c3ccc(S(=O)(=O)C4(C(=O)NOC5CCCCO5)CCOCC4)cn3)CC2)s1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.40
MMP2 P08253 17/20 0.40
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
ADAM17 P78536 1/20 0.38
MMP8 P22894 1/20 0.35

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
SCHEMBL8317378 0.87 MMP13 (0.52) MMP13MMP2MMP1MMP9ADAM17
Hydrochloric Acid SCHEMBL6232519 0.86 MMP13 (0.51) MMP13MMP2MMP1MMP9ADAM17
SCHEMBL6229683 0.86 NPC1 (0.39) MMP13MMP2MMP1MMP9ADAM17
SCHEMBL8316792 0.85 MMP13 (0.43) MMP13MMP2MMP1MMP9ADAM17
SCHEMBL6263388 0.85 MMP13 (0.41) MMP13MMP2MMP1MMP9ADAM17
SCHEMBL6232760 0.84 MMP13 (0.39) MMP13MMP2MMP1MMP9ADAM17
SCHEMBL6207085 0.76 MMP13 (0.43) MMP13MMP2MMP1MMP9ADAM17
SCHEMBL8291048 0.74 AOC3 (0.34) MMP13MMP2MMP1MMP9ADAM17
SCHEMBL5717530 0.74 MMP13 (0.35) MMP13MMP2MMP1MMP9ADAM17
SCHEMBL8312493 0.72 MMP13 (0.47) MMP13MMP2MMP1MMP9ADAM17

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
WO-2004048368-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2004-06-10 WO disclosed