SCHEMBL5360149

SCHEMBL5360149

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
DGAT1 O75907 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
SRC P12931 1/20 0.31
TSHR P16473 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
KCNN4 O15554 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL755683 0.87 DGAT1 (0.37) KDM4EPKMDGAT1ALDH1A1POLB
SCHEMBL12952357 0.84 ALDH1A1 (0.38) KDM4EPKMDGAT1ALDH1A1SRC
SCHEMBL739848 0.81 CYP4F2 (0.34) KDM4EPKMCYP4F2CYP4A11
SCHEMBL26815950 0.79 DGAT1 (0.41) KDM4EPKMDGAT1
SCHEMBL29073969 0.79 PKM (0.47) KDM4EPKMALDH1A1POLBCYP4F2
SCHEMBL29287973 0.79 DGAT1 (0.32) DGAT1ALDH1A1POLBSRC
SCHEMBL1812866 0.77 TSHR (0.39) DGAT1TSHRUSP2LMNA
SCHEMBL12927027 0.77 DGAT1 (0.35) DGAT1
SCHEMBL5611565 0.76 GAA (0.38) DGAT1ALDH1A1
SCHEMBL5000217 0.73 CYP4F2 (0.39) KDM4EPKMDGAT1ALDH1A1POLB

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
US-20070179216-A1 Method for producing aqueous polyurethane dispersions by means of flash evaporation DEGUSSA AG (DE) 2007-08-02 US disclosed