SCHEMBL3633117

SCHEMBL3633117

C=CC(=O)OCCOC(=O)N(C(=O)OCCOC(=O)C=C)[C@@H](CCCCN)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.40
ALDH1A1 P00352 4/20 0.40
TP53 P04637 3/20 0.40
HIF1A Q16665 3/20 0.40
CYP3A4 P08684 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.37
GSR P00390 1/20 0.36
THRB P10828 2/20 0.35
RNPEP Q9H4A4 1/20 0.35
CPB2 Q96IY4 3/20 0.33
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1170168 0.84 GSR (0.36) ALDH1A1CYP3A4HPGDGSRRNPEP
SCHEMBL10749571 0.82 GSR (0.39) TSHRGSRRNPEPCPB2
SCHEMBL1170459 0.80 THRB (0.39) TSHRGSRTHRBRNPEPCPB2
SCHEMBL9716606 0.79 GSR (0.39) ALDH1A1GSRRNPEPCPB2
SCHEMBL9716610 0.79 GSR (0.39) ALDH1A1GSRRNPEPCPB2
SCHEMBL15208668 0.78 CPB2 (0.38) GSRRNPEPCPB2
SCHEMBL1170458 0.78 CPB2 (0.35) GSRRNPEPCPB2
SCHEMBL9716597 0.77 CPB2 (0.46) ALDH1A1HSD17B10GSRRNPEPCPB2
SCHEMBL9716594 0.77 CPB2 (0.46) ALDH1A1HSD17B10GSRRNPEPCPB2
SCHEMBL20788026 0.76 GSR (0.44) ALDH1A1GSRTHRBRNPEPCPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311130-A1 ENZYMATIC ESTER HYDROLYSIS DSM IP ASSETS B.V. (NL) 2010-12-09 US disclosed
EP-2155884-A1 PROCESS FOR SELECTIVE ENZYMATIC HYDROLYSIS OF PENDANT ESTERS OF A POLYMER DSM IP Assets B.V. (NL) 2010-02-24 EP disclosed
WO-2008155381-A1 PROCESS FOR SELECTIVE ENZYMATIC HYDROLYSIS OF PENDANT ESTERS OF A POLYMER DSM IP ASSETS B.V. (NL) 2008-12-24 WO disclosed