SCHEMBL13625219

SCHEMBL13625219

CCC(C)CC(C)(CO)C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.35
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
DGAT1 O75907 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
PRKCA P17252 1/20 0.31

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
SCHEMBL17898168 0.82 MMP8 (0.32) MMP8
SCHEMBL17898147 0.81 CYP2D6 (0.42) MMP8CA1CA2DGAT1KDM4E
SCHEMBL28292468 0.80 MMP8 (0.37) MMP8CA1CA2DGAT1
SCHEMBL27942129 0.78 MMP8 (0.36) MMP8CA1CA2DGAT1
SCHEMBL16442445 0.77 MMP8 (0.33) MMP8CA1CA2
SCHEMBL769720 0.76 DGAT1 (0.44) DGAT1KDM4EPKMPRKCA
SCHEMBL10297997 0.76 MMP8 (0.34) MMP8CA1CA2DGAT1
SCHEMBL106266 0.74 DGAT1 (0.39) CA1CA2DGAT1KDM4EPKM
SCHEMBL13951445 0.74 MMP8 (0.33) MMP8CA1CA2DGAT1
SCHEMBL6250802 0.73 TSHR (0.38)

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-2009133264-A2 MODIFICATION OF THE SURFACE CHEMISTRY OF MACROMOLECULAR SPECIES IN THE PRESENCE OF A CONJUGATED GUANIDINE POLYRISE (FR) 2009-11-05 WO disclosed