SCHEMBL1170168

SCHEMBL1170168

C=CCCCOC(=O)N(C(=O)OCCCC=C)[C@@H](CCCCN)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.36
RNPEP Q9H4A4 1/20 0.35
CPB2 Q96IY4 4/20 0.33
ALDH1A1 P00352 2/20 0.32
USP2 O75604 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL10749571 0.85 GSR (0.39) GSRRNPEPCPB2MAPT
SCHEMBL3633117 0.84 TSHR (0.40) GSRRNPEPCPB2ALDH1A1CYP3A4
SCHEMBL9716610 0.82 GSR (0.39) GSRRNPEPCPB2ALDH1A1MAPT
SCHEMBL9716606 0.82 GSR (0.39) GSRRNPEPCPB2ALDH1A1MAPT
SCHEMBL9716597 0.80 CPB2 (0.46) GSRRNPEPCPB2ALDH1A1MAPT
SCHEMBL9716594 0.80 CPB2 (0.46) GSRRNPEPCPB2ALDH1A1MAPT
SCHEMBL1170459 0.77 THRB (0.39) GSRRNPEPCPB2
SCHEMBL9716802 0.77 ALDH1A1 (0.38) GSRCPB2ALDH1A1CYP3A4MAPT
SCHEMBL9716798 0.77 ALDH1A1 (0.38) GSRCPB2ALDH1A1CYP3A4MAPT
SCHEMBL15208668 0.76 CPB2 (0.38) GSRRNPEPCPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110045530-A1 ENZYMATIC CONJUGATION OF BIOACTIVE MOIETIES DSM IP ASSETS B.V. (NL) 2011-02-24 US disclosed
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