SCHEMBL7686569

SCHEMBL7686569

O=C(O)CC(NC(=O)OCCCc1ccccc1)C(=O)Cn1nnnc1Cc1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 15/20 0.47
CASP3 P42574 1/20 0.39
CTSK P43235 1/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7686951 0.97 CASP1 (0.46) CASP1CASP3
SCHEMBL7680016 0.95 CASP1 (0.48) CASP1CASP3
SCHEMBL7683677 0.91 CASP1 (0.50) CASP1CASP3
SCHEMBL7683292 0.90 CASP1 (0.58) CASP1CASP3
SCHEMBL7678093 0.89 CASP1 (0.42) CASP1CASP3
SCHEMBL8171644 0.87 CASP1 (0.41) CASP1CASP3SMN1; SMN2
SCHEMBL8178640 0.86 CASP1 (0.40) CASP1CASP3SMN1; SMN2
SCHEMBL7678223 0.86 CASP1 (0.54) CASP1CASP3
SCHEMBL7675664 0.86 CASP1 (0.41) CASP1CASP3NPC1RECQLRAB9A
Hydrochloric Acid SCHEMBL7690065 0.86 CASP1 (0.40) CASP1CASP3SMN1; SMN2

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