SCHEMBL9697580

SCHEMBL9697580

C=CCOC(=O)NCCN(CCC(=O)O)C(=O)OCC=C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 11/20 0.37
EPHX2 P34913 2/20 0.34
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.32
ABCC4 O15439 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ERN1 O75460 1/20 0.31
TSHR P16473 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 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
SCHEMBL9698944 0.89 TSHR (0.32) CASP1MEN1KMT2AERN1TSHR
SCHEMBL9699402 0.88 CASP1 (0.37) CASP1MAPTMEN1KMT2AERN1
SCHEMBL9697565 0.81 CASP1 (0.32) CASP1MEN1KMT2AERN1
SCHEMBL10722194 0.81 CASP1 (0.40) CASP1EPHX2HTTMAPTABCC4
SCHEMBL9697794 0.80 CASP1 (0.36) CASP1HTTERN1
SCHEMBL13209021 0.78 CA1 (0.37) HTTMEN1KMT2A
SCHEMBL9699007 0.78 TSHR (0.34) MAPTTSHRCACNA1BAPBA1
SCHEMBL9697777 0.77
SCHEMBL9547216 0.76 EPHX2 (0.50) EPHX2HTTMAPTABCC4KMT2A
SCHEMBL8653669 0.75 EPHX2 (0.52) EPHX2HTTMAPTABCC4KMT2A

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-1992002521-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-20 WO disclosed