SCHEMBL9313299

SCHEMBL9313299

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

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
CASP1 P29466 1/20 0.32
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
SCHEMBL9313394 0.84 TDP1 (0.38) TDP1CASP1ALDH1A1
SCHEMBL9313381 0.81
SCHEMBL9314683 0.80 ALDH1A1 (0.33) TDP1CASP1ALDH1A1
SCHEMBL9670535 0.80 TDP1 (0.33) TDP1CASP1ALDH1A1
SCHEMBL28287911 0.75 TDP1 (0.40) TDP1CASP1ALDH1A1
SCHEMBL10049737 0.73 TDP1 (0.45) TDP1CASP1ALDH1A1
SCHEMBL9387378 0.72 CASP1 (0.38) TDP1CASP1ALDH1A1
SCHEMBL19080581 0.71 TDP1 (0.37) TDP1
SCHEMBL18159716 0.70 TDP1 (0.39) TDP1CASP1ALDH1A1
SCHEMBL9314518 0.70 TDP1 (0.33) TDP1

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
US-5286721-A Antimicrobial agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-15 US disclosed
EP-0506982-A1 1-AZABICYCLO 3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-07 EP disclosed
WO-1992006978-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-30 WO disclosed