SCHEMBL7682636

SCHEMBL7682636

COc1ccc(CCOC(=O)NC(CC(=O)O)C(=O)Cn2nnnc2Sc2c(Cl)ccc(Cl)c2Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
LMNA P02545 1/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
HTT P42858 1/20 0.36
CASP1 P29466 2/20 0.36
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
MDM2 Q00987 1/20 0.33
LTB4R Q15722 1/20 0.33

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
SCHEMBL7683251 0.91 ALDH1A1 (0.36) ALDH1A1LMNAERCC5FEN1HTT
SCHEMBL7676854 0.89 ALDH1A1 (0.35) ALDH1A1LMNAERCC5FEN1HTT
SCHEMBL8165543 0.87 CASP1 (0.35) ALDH1A1LMNAERCC5FEN1CASP1
SCHEMBL7679421 0.86 CASP1 (0.43) ALDH1A1CASP1
SCHEMBL7680365 0.85 CASP1 (0.36) ALDH1A1CASP1CHRM5CHRM1CHRM3
SCHEMBL8164660 0.85 ALDH1A1 (0.34) ALDH1A1LMNAERCC5FEN1HTT
SCHEMBL7683990 0.85 CASP1 (0.40) CASP1
Hydrochloric Acid SCHEMBL7683743 0.84 ALDH1A1 (0.34) ALDH1A1LMNAERCC5FEN1HTT
SCHEMBL7686864 0.84 ALDH1A1 (0.34) ALDH1A1LMNAERCC5FEN1HTT
SCHEMBL7686487 0.83 CASP1 (0.53) 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 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