SCHEMBL6092530

SCHEMBL6092530

CCOC(=O)CC1(CI)CCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPA1 O75762 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
CYP1A2 P05177 2/20 0.35
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
BLM P54132 1/20 0.35
CACNA2D1 P54289 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL4577419 0.89 GAA (0.44) GAAMGAMSIMGAM2KDM4E
SCHEMBL7848700 0.87 GAA (0.46) GAAMGAMSIMGAM2KDM4E
SCHEMBL11417985 0.84 GAA (0.40) GAAMGAMSIMGAM2KDM4E
SCHEMBL466295 0.82 ALDH1A1 (0.56) GAAMGAMSIMGAM2KDM4E
SCHEMBL29127308 0.82 CYP1A2 (0.52) GAAMGAMSIMGAM2KDM4E
SCHEMBL6091954 0.81 TP53 (0.37) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL6578159 0.81 ALDH1A1 (0.55) GAAMGAMSIMGAM2KDM4E
SCHEMBL7848701 0.80 ALDH1A1 (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL16877111 0.79 GAA (0.43) GAAMGAMSIMGAM2KDM4E
SCHEMBL15713065 0.79 KDM4E (0.37) GAAMGAMSIMGAM2KDM4E

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
WO-2006064286-A1 CATHEPSIN S INHIBITORS MEDIVIR UK LTD (GB) 2006-06-22 WO disclosed