SCHEMBL13898698

SCHEMBL13898698

Cc1ccc(Oc2ccc(S(=O)(=O)NC3(C(=O)OCc4ccccc4)CCCC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.49
MMP13 P45452 7/20 0.49
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
AR P10275 1/20 0.47
ADAM17 P78536 3/20 0.47
FFAR1 O14842 1/20 0.46
LMNA P02545 1/20 0.45
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL13898717 0.91 MMP1 (0.61) MMP1MMP13
SCHEMBL6809628 0.90 MMP1 (0.63) MMP1MMP13ARFFAR1
SCHEMBL6696963 0.88 MMP1 (0.63) MMP1MMP13ARFFAR1
SCHEMBL5678202 0.87 MMP1 (0.50) MMP1MMP13CA1CA2ADAM17
SCHEMBL5675854 0.81 ALDH1A1 (0.50) MMP1MMP13LMNA
SCHEMBL4614895 0.81 MMP1 (0.51) MMP1MMP13AR
SCHEMBL6866682 0.81 MMP1 (0.65) MMP1MMP13
SCHEMBL14507736 0.80 LMNA (0.47) CA1CA2LMNA
SCHEMBL7066448 0.76 MMP13 (0.62) MMP1MMP13
SCHEMBL4615932 0.75 LMNA (0.49) CA1CA2LMNACYP2C9CYP1A2

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-7504537-B2 Hydroxamic acid derivative and MMP inhibitor containing the same as active ingredient DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-03-17 US disclosed