Sugi Predict

Sugi Predict / Compounds / SCHEMBL7364389

SCHEMBL7364389

SCHEMBL7364389

CC(C)[C@H](N)C(=O)N(C(=O)OCc1ccccc1)[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 15/20 0.57
▸ CASP6 P55212 13/20 0.57
▸ CASP8 Q14790 13/20 0.57
▸ CASP1 P29466 5/20 0.47

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
SCHEMBL7364386 1.00 CASP3 (0.57) CASP3CASP6CASP8CASP1
SCHEMBL7364559 0.92 CASP3 (0.48) CASP3CASP6CASP8CASP1
SCHEMBL7365589 0.92 CASP3 (0.48) CASP3CASP6CASP8CASP1
SCHEMBL7365116 0.92 CASP3 (0.48) CASP3CASP6CASP8CASP1
SCHEMBL3686640 0.78 CASP1 (0.74) CASP3CASP6CASP8CASP1
SCHEMBL29802628 0.78 CASP1 (0.74) CASP3CASP6CASP8CASP1
SCHEMBL7745119 0.77 CASP3 (0.67) CASP3CASP6CASP8CASP1
SCHEMBL8247253 0.77 CASP3 (0.67) CASP3CASP6CASP8CASP1
SCHEMBL7402851 0.76 CASP3 (0.44) CASP3CASP6CASP8
SCHEMBL7277260 0.73 CASP1 (0.41) CASP3CASP6CASP8CASP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611375-A1 PEPTIDES INHIBITING IL-1 BETA RELEASE SANDOZ LTD. (CH) 1994-08-24 — — EP claimed
WO-1993009135-A1 PEPTIDES INHIBITING IL-1 BETA RELEASE SANDOZ LTD. (CH) 1993-05-13 — — WO claimed