SCHEMBL3501924

SCHEMBL3501924

Cc1cccc(C)c1C(=O)OCC(=O)C(CC(N)=O)NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 19/20 0.57
CASP3 P42574 1/20 0.51

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
SCHEMBL5832034 0.86 CASP1 (0.56) CASP1CASP3
SCHEMBL5181237 0.80 KYNU (0.60) CASP1
SCHEMBL7736831 0.80 KYNU (0.60) CASP1
SCHEMBL20756235 0.79 CTSL (0.54) CASP1CASP3
SCHEMBL19275168 0.79 CTSL (0.54) CASP1CASP3
SCHEMBL7364542 0.79 CASP3 (0.53) CASP1CASP3
SCHEMBL20756965 0.79 CASP1 (0.49) CASP1CASP3
SCHEMBL3686640 0.78 CASP1 (0.74) CASP1CASP3
SCHEMBL29802628 0.78 CASP1 (0.74) CASP1CASP3
SCHEMBL7742845 0.78 PSMB1 (0.56) CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100158924-A1 Expression of the cysteine protease legumain in vascular and inflammatory diseases WYETH, LLC (US) 2010-06-24 US disclosed
US-20070274987-A1 Expression of the cysteine protease legumain in vascular and inflammatory diseases WYETH 2007-11-29 US disclosed