SCHEMBL7683785

SCHEMBL7683785

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.33
CTSA P10619 4/20 0.33
CASP3 P42574 2/20 0.32
CASP6 P55212 1/20 0.32
CASP8 Q14790 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL7686539 0.95 CTSA (0.34) CTSACASP3CASP6CASP8RECQL
SCHEMBL7684018 0.89 CASP1 (0.37) CTSACASP3RECQLALDH1A1SMN1; SMN2
SCHEMBL7679637 0.87 MAPT (0.34) CTSACASP3RECQLALDH1A1SMN1; SMN2
SCHEMBL7686996 0.86 CASP1 (0.39) CTSACASP3RECQLALDH1A1SMN1; SMN2
SCHEMBL7683819 0.85 ALDH1A1 (0.35) CTSAALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL7675970 0.85 CASP1 (0.36) CTSACASP3CASP6CASP8
SCHEMBL7680229 0.84 SMN1; SMN2 (0.39) CTSARECQLALDH1A1SMN1; SMN2MAPT
SCHEMBL7684324 0.83 MAPT (0.36) CTSACASP3CASP6CASP8ALDH1A1
SCHEMBL7681039 0.82 CASP1 (0.36) CTSACASP3CASP6CASP8
SCHEMBL7684625 0.82 CASP1 (0.34) CTSACASP3

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