SCHEMBL7685546

SCHEMBL7685546

Cc1cc(C(C)(C)C)cc(C)c1Sc1nnn(CC(=O)C(CC(=O)O)NC(=O)SCc2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 13/20 0.38
CASP8 Q14790 8/20 0.38
CASP1 P29466 5/20 0.38
CASP7 P55210 5/20 0.38
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
LHCGR P22888 1/20 0.32
CTSA P10619 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
SCHEMBL8176683 0.89 TP53 (0.36) CASP3CASP8CASP1CASP7TP53
Hydrochloric Acid SCHEMBL7689556 0.88 TP53 (0.36) CASP3CASP8CASP1CASP7TP53
SCHEMBL7675832 0.86 CASP1 (0.45) CASP3CASP1
SCHEMBL7686947 0.86 TP53 (0.37) CASP3CASP8CASP1CASP7TP53
SCHEMBL7684926 0.85 CASP3 (0.37) CASP3CASP8CASP1CASP7TP53
SCHEMBL7681039 0.84 CASP1 (0.36) CASP3CASP8CASP1CASP7TP53
SCHEMBL7685090 0.83 CASP1 (0.37) CASP3CASP8CASP1CASP7TP53
SCHEMBL7683940 0.82 TP53 (0.35) CASP3CASP8CASP1CASP7TP53
SCHEMBL7684199 0.82 TP53 (0.34) CASP3CASP8CASP1CASP7TP53
SCHEMBL7685682 0.79 CASP1 (0.43) CASP3CASP1

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