SCHEMBL7822673

SCHEMBL7822673

CCCC(C)(N)CC(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
LMNA P02545 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 4/20 0.40
TRPA1 O75762 1/20 0.40
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.38
HSD11B1 P28845 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
SOAT1 P35610 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
FDPS P14324 1/20 0.33

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
SCHEMBL7815798 0.83 GAA (0.46) GAAMGAMSIMGAM2LMNA
SCHEMBL12643342 0.83 CYP4F2 (0.50) GAAMGAMSIMGAM2LMNA
SCHEMBL4996013 0.81 GAA (0.48) GAAMGAMSIMGAM2LMNA
SCHEMBL27346783 0.80 MEN1 (0.53) GAAMGAMSIMGAM2LMNA
SCHEMBL12643341 0.80 GAA (0.36) GAAMGAMSIMGAM2LMNA
SCHEMBL14727725 0.79 LMNA (0.48) GAAMGAMSIMGAM2LMNA
SCHEMBL12643343 0.79 CYP1A2 (0.37) GAAMGAMSIMGAM2LMNA
SCHEMBL1409293 0.79 GAA (0.50) GAAMGAMSIMGAM2LMNA
SCHEMBL7250728 0.78 GAA (0.44) GAAMGAMSIMGAM2LMNA
SCHEMBL7824747 0.77 MMP8 (0.49) GAAMGAMSIMGAM2LMNA

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-1144415-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2000042045-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed