SCHEMBL7681919

SCHEMBL7681919

COCCOC(=O)NC(CC(=O)O)C(=O)Cn1nnnc1Sc1c(Cl)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 10/20 0.38
CASP3 P42574 2/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
TSHR P16473 1/20 0.33
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
SCHEMBL7686197 0.97 CASP1 (0.37) CASP1CASP3ALDH1A1SMN1; SMN2NPC1
SCHEMBL7679421 0.91 CASP1 (0.43) CASP1CASP3ALDH1A1KMT2A
SCHEMBL7676849 0.91 CASP1 (0.38) CASP1CASP3ALDH1A1KMT2ALMNA
SCHEMBL7675762 0.89 CASP1 (0.37) CASP1CASP3ALDH1A1SMN1; SMN2NPC1
SCHEMBL8165543 0.89 CASP1 (0.35) CASP1CASP3ALDH1A1NPC1KMT2A
SCHEMBL7683990 0.88 CASP1 (0.40) CASP1CASP3
SCHEMBL7687004 0.88 ALDH1A1 (0.36) CASP3ALDH1A1SMN1; SMN2NPC1KMT2A
SCHEMBL7677095 0.88 CASP1 (0.36) CASP1CASP3CTSA
SCHEMBL7680995 0.87 CASP1 (0.53) CASP1CASP3
SCHEMBL7684617 0.87 ALDH1A1 (0.34) CASP3ALDH1A1SMN1; SMN2NPC1KMT2A

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