SCHEMBL9699010

SCHEMBL9699010

C=CCOC(=O)NCC(CC(C)=O)NC(=O)OCC=C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 15/20 0.40
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9697727 1.00 CASP1 (0.40) CASP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9699003 1.00 CASP1 (0.40) CASP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9697634 0.86 CASP1 (0.49) CASP1
SCHEMBL9697658 0.86 CASP1 (0.49) CASP1
SCHEMBL9697843 0.86 CASP1 (0.49) CASP1
SCHEMBL9386901 0.78 CASP1 (0.44) CASP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9314219 0.76 CASP1 (0.36) CASP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10049737 0.75 TDP1 (0.45) CASP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9696866 0.74 CASP1 (0.35) CASP1ALDH1A1MAPT
SCHEMBL9697745 0.74 CASP1 (0.35) CASP1ALDH1A1MAPT

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