SCHEMBL5413107

SCHEMBL5413107

CCCN(C1(C(=O)NO)CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 20/20 0.68
▸ MMP13 P45452 17/20 0.57
▸ MMP14 P50281 7/20 0.57
▸ MMP9 P14780 6/20 0.57
▸ MMP2 P08253 5/20 0.57
▸ MMP3 P08254 5/20 0.57
▸ MMP8 P22894 5/20 0.57
▸ MMP12 P39900 1/20 0.57
▸ ADAM17 P78536 2/20 0.47
▸ ABCB11 O95342 1/20 0.46
▸ MMP7 P09237 1/20 0.46
▸ MMP10 P09238 1/20 0.46

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
SCHEMBL26434 0.90 MMP1 (0.83) MMP1MMP13MMP14MMP9MMP2
SCHEMBL6813262 0.89 MMP1 (0.67) MMP1MMP13MMP14MMP9MMP2
SCHEMBL13899017 0.83 MMP1 (0.52) MMP1MMP13MMP14MMP9MMP2
SCHEMBL3987272 0.82 MMP1 (0.68) MMP1MMP13MMP14MMP9MMP2
SCHEMBL6873149 0.82 MMP1 (0.70) MMP1MMP13MMP14MMP9MMP2
SCHEMBL13556928 0.81 MMP1 (0.81) MMP1MMP13MMP14MMP9MMP2
SCHEMBL7347709 0.81 MMP1 (0.56) MMP1MMP13MMP14MMP9MMP2
SCHEMBL7352297 0.81 MMP1 (0.68) MMP1MMP13MMP14MMP9MMP2
SCHEMBL25130 0.81 MMP1 (0.96) MMP1MMP13MMP14MMP9MMP2
SCHEMBL26986 0.81 MMP1 (1.00) MMP1MMP13MMP14MMP9MMP2

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-7288251-B2 Antibodies to CD40 ABGENIX, INC. (US) 2007-10-30 — — US disclosed
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