SCHEMBL7687015

SCHEMBL7687015

Cc1ccccc1COC(=O)NC(CC(=O)O)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 11/20 0.46
CNR2 P34972 2/20 0.39
CASP3 P42574 3/20 0.38
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL8177180 0.92 MAPT (0.44) CASP1CNR2MAPTTHRBALDH1A1
SCHEMBL7680872 0.90 CASP1 (0.49) CASP1CNR2CASP3
SCHEMBL7680024 0.89 CASP1 (0.48) CASP1CNR2CASP3
SCHEMBL7683929 0.89 CASP1 (0.58) CASP1CASP3
SCHEMBL7683838 0.85 CASP1 (0.50) CASP1CASP3
SCHEMBL7683989 0.85 CASP1 (0.51) CASP1CNR2CASP3
SCHEMBL7680051 0.84 CASP1 (0.51) CASP1CASP3
SCHEMBL7680032 0.84 CASP1 (0.48) CASP1CNR2CASP3
SCHEMBL7685907 0.84 CASP1 (0.50) CASP1CNR2CASP3
SCHEMBL7679754 0.84 CASP1 (0.51) CASP1CNR2CASP3

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