SCHEMBL7429048

SCHEMBL7429048

Cc1cc(C(C)Oc2ccc(S(=O)(=O)CC3(C(=O)NO)CCOCC3)cc2)cc(C)n1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.58
ADAM17 P78536 17/20 0.58
MMP2 P08253 17/20 0.58
MMP1 P03956 7/20 0.58
MMP14 P50281 6/20 0.58
MMP9 P14780 6/20 0.58
MMP3 P08254 2/20 0.58
ABCB11 O95342 1/20 0.58
MMP7 P09237 1/20 0.58
MMP10 P09238 1/20 0.58
MMP8 P22894 1/20 0.58

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
SCHEMBL7359550 0.83 ADAM17 (0.60) MMP13ADAM17MMP2MMP1MMP14
SCHEMBL7429059 0.81 ADAM17 (0.58) MMP13ADAM17MMP2MMP1MMP14
Trifluoroacetic Acid SCHEMBL7942839 0.78 ADAM17 (0.54) MMP13ADAM17MMP2MMP1MMP14
SCHEMBL3984079 0.76 MMP1 (0.80) MMP13ADAM17MMP2MMP1MMP14
SCHEMBL7306093 0.75 MMP1 (0.81) MMP13ADAM17MMP2MMP1MMP14
SCHEMBL7308448 0.75 MMP1 (0.81) MMP13ADAM17MMP2MMP1MMP14
Hydrochloric Acid SCHEMBL7349688 0.74 MMP13 (0.77) MMP13ADAM17MMP2MMP1MMP14
SCHEMBL7301710 0.74 MMP1 (0.80) MMP13ADAM17MMP2MMP1MMP14
Cts-1027 SCHEMBL2381112 0.74 MMP1 (1.00) MMP13ADAM17MMP2MMP1MMP14
SCHEMBL3940023 0.73 MMP2 (0.79) MMP13ADAM17MMP2MMP1MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077974-A1 SUBSTITUTED ARYL HYDROXAMIC ACIDS AS METALLOPROTEINASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-02-28 EP disclosed
WO-1999058528-A1 SUBSTITUTED ARYL HYDROXAMIC ACIDS AS METALLOPROTEINASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY. (US) 1999-11-18 WO disclosed