SCHEMBL7686864

SCHEMBL7686864

COc1ccc(CCCCOC(=O)NC(CC(=O)O)C(=O)Cn2nnnc2Sc2c(Cl)cc(N(C)C)cc2Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.34
LMNA P02545 1/20 0.34
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
CASP1 P29466 3/20 0.33
MAPT P10636 1/20 0.33
LTB4R Q15722 2/20 0.33
NAAA Q02083 1/20 0.33
MDM2 Q00987 1/20 0.33
HTT P42858 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 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
SCHEMBL7676854 0.95 ALDH1A1 (0.35) ALDH1A1LMNAERCC5FEN1CASP1
SCHEMBL8164660 0.87 ALDH1A1 (0.34) ALDH1A1LMNAERCC5FEN1CASP1
SCHEMBL7683251 0.87 ALDH1A1 (0.36) ALDH1A1LMNAERCC5FEN1CASP1
SCHEMBL7678072 0.87 MDM2 (0.34) ALDH1A1CASP1LTB4RNAAAMDM2
Hydrochloric Acid SCHEMBL7683743 0.87 ALDH1A1 (0.34) ALDH1A1LMNAERCC5FEN1CASP1
SCHEMBL7682636 0.84 ALDH1A1 (0.37) ALDH1A1LMNAERCC5FEN1CASP1
SCHEMBL8173185 0.83 CASP1 (0.44) CASP1
Hydrochloric Acid SCHEMBL7691858 0.83 CASP1 (0.44) CASP1
SCHEMBL7685536 0.82 MDM2 (0.34) ALDH1A1CASP1MAPTMDM2
SCHEMBL7686151 0.80 ALDH1A1 (0.35) ALDH1A1LMNACASP1CYP3A4CYP2C9

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