SCHEMBL7435579

SCHEMBL7435579

COc1ccccc1OC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2C(N)=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 6/20 0.46
LMNA P02545 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.42
PTGDR Q13258 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.41
EPHX2 P34913 1/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL7431658 0.92 ACLY (0.49) HTR2CSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL5898959 0.89 MMP2 (0.48) HTR2CSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL7414533 0.83 MMP13 (0.56) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL5898944 0.80 MMP2 (0.54) HTR2CSMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL8361646 0.77 MMP2 (0.51) HTR2CSMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL6572436 0.77 MMP2 (0.53) SMN1; SMN2ALDH1A1KMT2AHPGDMAPK1
SCHEMBL8363785 0.75 MMP2 (0.51) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL5898961 0.74 MMP2 (0.52) SMN1; SMN2ALDH1A1KMT2AMEN1PKM
SCHEMBL8361708 0.74 MMP2 (0.52) SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL8361686 0.73 MMP2 (0.47) SMN1; SMN2ALDH1A1LMNAKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177173-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS G.D. SEARLE & CO. (US) 2002-02-06 EP disclosed
WO-2001085680-A2 SULFONYL ARYL OR HETEROARYL HYDROXAMIC ACID COMPOUNDS PHARMACIA CORPORATION (US) 2001-11-15 WO disclosed
WO-2000069819-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS G.D. SEARLE & CO. (US) 2000-11-23 WO disclosed