SCHEMBL7676798

SCHEMBL7676798

CC(=O)NCCOC(=O)NC(CC(=O)O)C(=O)Cn1nnc(Sc2c(Cl)cccc2Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.37
CASP3 P42574 5/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CASP6 P55212 3/20 0.33
CASP8 Q14790 3/20 0.33
THRB P10828 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LTA4H P09960 1/20 0.32

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
SCHEMBL7686996 0.89 CASP1 (0.39) CASP1CASP3MAPTLMNANPSR1
SCHEMBL7684507 0.88 MTNR1A (0.33) CASP3MAPTLMNANPSR1CASP6
SCHEMBL7684781 0.88 CASP1 (0.38) CASP1CASP3MAPTLMNANPSR1
SCHEMBL7684018 0.87 CASP1 (0.37) CASP1CASP3MAPTLMNANPSR1
SCHEMBL7684058 0.86 CASP1 (0.44) CASP1CASP3TP53
SCHEMBL7687232 0.84 CASP1 (0.54) CASP1CASP3
SCHEMBL7675668 0.84 CASP1 (0.40) CASP1CASP3
SCHEMBL7675762 0.84 CASP1 (0.37) CASP1CASP3LMNACASP6CASP8
SCHEMBL7679587 0.84 CASP1 (0.36) CASP1CASP3
SCHEMBL7682036 0.83 CASP1 (0.38) CASP1CASP3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US claimed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP claimed
US-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 US disclosed
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP disclosed