SCHEMBL9386901

SCHEMBL9386901

C=CCOC(=O)NC[C@@H](NC(=O)OCC=C)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 17/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 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
SCHEMBL9314219 0.81 CASP1 (0.36) CASP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL9699003 0.78 CASP1 (0.40) CASP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL9699010 0.78 CASP1 (0.40) CASP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL9697727 0.78 CASP1 (0.40) CASP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL10049737 0.78 TDP1 (0.45) CASP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL14265360 0.77 SMN1; SMN2 (0.51) CASP1SMN1; SMN2
SCHEMBL9387378 0.76 CASP1 (0.38) CASP1ALDH1A1MAPT
SCHEMBL28287911 0.76 TDP1 (0.40) CASP1ALDH1A1MAPT
SCHEMBL23558913 0.75 CASP1 (0.36) CASP1ALDH1A1MAPT
SCHEMBL12307316 0.75 CASP1 (0.39) CASP1ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0394991-B1 1-Azabicyclo(3.2.0)Hept-2-Ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO (JP) 1994-08-17 EP disclosed
US-5102877-A Carbapenicillin antibiotics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-07 US disclosed
EP-0394991-A1 1-Azabicyclo(3.2.0)Hept-2-Ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-31 EP disclosed