SCHEMBL6263247

SCHEMBL6263247

C=CC(=O)OC(CC)CNc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
TGM2 P21980 1/20 0.40
KLK7 P49862 1/20 0.38
THRB P10828 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ABCB1 P08183 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL863877 0.79 MAPT (0.42) MAPTKLK7HTTSMN1; SMN2MEN1
SCHEMBL2780133 0.77 THRB (0.51) THRB
SCHEMBL561301 0.75 TSHR (0.45) THRBSMN1; SMN2ALDH1A1CYP3A4CTSK
SCHEMBL3765449 0.75 HCAR2 (0.42) MAPTTHRBHCAR2MEN1KMT2A
SCHEMBL14410617 0.73 MAPT (0.56) MAPTTGM2THRBHTTSMN1; SMN2
SCHEMBL5605885 0.73 THRB (0.41) TGM2THRBHCAR2ALDH1A1
SCHEMBL28397599 0.73 TDP1 (0.51) THRBSMN1; SMN2KMT2AALDH1A1LMNA
Acrylic Acid Ethyl Ester SCHEMBL28335812 0.73 GAA (0.47) MAPTTGM2THRBSMN1; SMN2MEN1
SCHEMBL28863896 0.73 HCAR2 (0.67) THRBHCAR2KMT2AALDH1A1CYP3A4
SCHEMBL41557 0.73 HCAR2 (0.67) THRBHCAR2KMT2AALDH1A1CYP3A4

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-2005016976-A2 HEMOCOMPATIBLE POLYMER SYSTEMS AND RELATED METHODS ALBRIGHT ROBERT L (US) 2005-02-24 WO claimed