SCHEMBL9699402

SCHEMBL9699402

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 14/20 0.37
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ERN1 O75460 3/20 0.31
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL9697794 0.92 CASP1 (0.36) CASP1ERN1ALDH1A1
SCHEMBL9697580 0.88 CASP1 (0.37) CASP1MEN1KMT2AERN1MAPT
SCHEMBL9697565 0.87 CASP1 (0.32) CASP1MEN1KMT2AERN1ALDH1A1
SCHEMBL9698944 0.80 TSHR (0.32) CASP1MEN1KMT2AERN1ALDH1A1
SCHEMBL9697624 0.79 ACHE (0.35) ERN1ALDH1A1
SCHEMBL13055388 0.75 MAPT (0.42) CASP1MEN1KMT2AERN1MAPT
SCHEMBL14073941 0.74 TDP1 (0.42) MEN1KMT2AMAPT
SCHEMBL9697777 0.74
SCHEMBL10722194 0.74 CASP1 (0.40) CASP1MEN1KMT2AERN1MAPT
SCHEMBL31688567 0.74 KMT2A (0.57) CASP1KMT2A

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