SCHEMBL7520402

SCHEMBL7520402

O=C(NCCCCCI)OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.68
TGM2 P21980 1/20 0.68
LMNA P02545 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
KEAP1 Q14145 3/20 0.61
NFE2L2 Q16236 3/20 0.61
FOLH1 Q04609 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
DPP8 Q6V1X1 1/20 0.52
DPP7 Q9UHL4 1/20 0.52
MAPT P10636 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
SLC1A3 P43003 1/20 0.50
SLC1A1 P43005 1/20 0.50

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
SCHEMBL11997140 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL30893361 0.98 HTT (0.70) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL6246225 0.94 HTT (0.72) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL9340146 0.92 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL15346534 0.92 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL9874334 0.92 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL6447301 0.91 HTT (0.72) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL18254066 0.91 HTT (0.81) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL7877730 0.88 HTT (0.72) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL707687 0.87 LMNA (0.71) HTTTGM2LMNASMN1; SMN2KEAP1

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-1179529-A1 NOVEL HYDROXAMIC ACID DERIVATIVES Daiichi Fine Chemical Co., Ltd. (JP) 2002-02-13 EP disclosed
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP disclosed