SCHEMBL7684018

SCHEMBL7684018

COCCOCCOC(=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 4/20 0.37
CASP3 P42574 3/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CAPN1 P07384 4/20 0.33
MAPT P10636 2/20 0.33
CTSA P10619 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
THRB P10828 1/20 0.33
TP53 P04637 1/20 0.33
RECQL P46063 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 0.97 CASP1 (0.39) CASP1CASP3ALDH1A1SMN1; SMN2MAPT
SCHEMBL7683785 0.89 DGAT1 (0.33) CASP3ALDH1A1SMN1; SMN2MAPTCTSA
SCHEMBL7684058 0.88 CASP1 (0.44) CASP1CASP3TP53
SCHEMBL7684781 0.88 CASP1 (0.38) CASP1CASP3ALDH1A1SMN1; SMN2MAPT
SCHEMBL8171648 0.87 CASP1 (0.36) CASP1ALDH1A1SMN1; SMN2RECQL
SCHEMBL7676798 0.87 CASP1 (0.37) CASP1CASP3ALDH1A1SMN1; SMN2MAPT
SCHEMBL7675668 0.86 CASP1 (0.40) CASP1CASP3
SCHEMBL7686539 0.85 CTSA (0.34) CASP3ALDH1A1SMN1; SMN2MAPTCTSA
SCHEMBL7679587 0.85 CASP1 (0.36) CASP1CASP3CTSA
SCHEMBL7682036 0.85 CASP1 (0.38) CASP1CASP3SMN1; SMN2CTSARECQL

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