SCHEMBL7678093

SCHEMBL7678093

O=C(O)CC(NC(=O)OCCc1ccc(F)cc1)C(=O)Cn1nnnc1Cc1c(Cl)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 10/20 0.42
CASP3 P42574 4/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 1/20 0.36
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
DOT1L Q8TEK3 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
SCHEMBL7680016 0.93 CASP1 (0.48) CASP1CASP3KDM4C
SCHEMBL8171644 0.91 CASP1 (0.41) CASP1CASP3ALDH1A1KDM4C
SCHEMBL8178640 0.90 CASP1 (0.40) CASP1CASP3ALDH1A1
Hydrochloric Acid SCHEMBL7690065 0.89 CASP1 (0.40) CASP1CASP3ALDH1A1
SCHEMBL7686569 0.89 CASP1 (0.47) CASP1CASP3
SCHEMBL7686951 0.88 CASP1 (0.46) CASP1CASP3
SCHEMBL7683677 0.86 CASP1 (0.50) CASP1CASP3
SCHEMBL7682065 0.85 CASP1 (0.40) CASP1CASP3ALDH1A1HPGDKDM4C
SCHEMBL7683292 0.85 CASP1 (0.58) CASP1CASP3
SCHEMBL7675664 0.85 CASP1 (0.41) CASP1CASP3KDM4CDOT1L

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