SCHEMBL7677902

SCHEMBL7677902

COc1ccc(CCCCOC(=O)NC(CC(=O)O)C(=O)Cn2nnc(Sc3c(Cl)ccc(Cl)c3Cl)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.36
LTB4R Q15722 1/20 0.35
NAAA Q02083 1/20 0.35
MDM2 Q00987 1/20 0.35
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7680365 0.95 CASP1 (0.36) CASP1LTB4RMDM2CHRM5CHRM1
SCHEMBL7678072 0.89 MDM2 (0.34) CASP1LTB4RNAAAMDM2CHRM5
SCHEMBL7680074 0.86 ALDH1A1 (0.36) CASP1MDM2CHRM5CHRM1ALDH1A1
SCHEMBL7685536 0.84 MDM2 (0.34) CASP1MDM2CHRM5CHRM1ALDH1A1
SCHEMBL8171648 0.82 CASP1 (0.36) CASP1LTB4RALDH1A1SMN1; SMN2
SCHEMBL7684781 0.82 CASP1 (0.38) CASP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7682352 0.81 CASP1 (0.54) CASP1
SCHEMBL7686996 0.81 CASP1 (0.39) CASP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL8172031 0.81 RECQL (0.35) CASP1MDM2CHRM5CHRM1ALDH1A1
SCHEMBL7682636 0.80 ALDH1A1 (0.37) CASP1LTB4RMDM2CHRM5CHRM1

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