SCHEMBL2283372

SCHEMBL2283372

CC[C@H](Nc1ccc(O)c(O)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.42
CYP1A2 P05177 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP3A4 P08684 2/20 0.42
ERCC1 P07992 2/20 0.42
ERCC4 Q92889 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 6/20 0.41
MAPT P10636 4/20 0.41
MAPK1 P28482 2/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 5/20 0.40
HSD17B10 Q99714 4/20 0.40
HIF1A Q16665 3/20 0.40
BLM P54132 3/20 0.40
ADRB2 P07550 2/20 0.40

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
SCHEMBL3134935 0.87 GAA (0.45) GAACYP1A2MEN1KMT2ACYP3A4
SCHEMBL3143472 0.86 SHBG (0.42) GAACYP1A2MEN1KMT2ACYP3A4
SCHEMBL300287 0.85 ERCC1 (0.46) GAACYP1A2ERCC1ERCC4KDM4E
SCHEMBL300286 0.85 ERCC1 (0.46) GAACYP1A2ERCC1ERCC4KDM4E
Hydrochloric Acid SCHEMBL15266596 0.83 ERCC1 (0.45) GAACYP1A2ERCC1ERCC4KDM4E
SCHEMBL29051409 0.80 PPARG (0.50) ERCC1ERCC4NPSR1CA1CA2
SCHEMBL30467554 0.80 PPARG (0.50) ERCC1ERCC4NPSR1CA1CA2
SCHEMBL3142287 0.79 ALDH1A1 (0.49) GAACYP1A2MEN1KMT2ACYP3A4
SCHEMBL734621 0.79 CYP3A4 (0.53) GAAMEN1KMT2ACYP3A4KDM4E
SCHEMBL31540140 0.78 CA2 (0.47) MEN1KMT2AERCC1ERCC4KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989007-B2 Weight loss composition VINCENT JAMES ENTERPRISES, LLC (US) 2011-08-02 US claimed
US-20090214680-A1 Weight Loss Composition INVIVO BEVERAGES LLC 2009-08-27 US claimed
WO-2009006366-A2 WEIGHT LOSS COMPOSITION VINCENT JAMES ENTERPRISES, LLC (US) 2009-01-08 WO claimed
US-7989007-B2 Weight loss composition VINCENT JAMES ENTERPRISES, LLC (US) 2011-08-02 US disclosed
US-20090214680-A1 Weight Loss Composition INVIVO BEVERAGES LLC 2009-08-27 US disclosed
WO-2009006366-A2 WEIGHT LOSS COMPOSITION VINCENT JAMES ENTERPRISES, LLC (US) 2009-01-08 WO disclosed