SCHEMBL5705299

SCHEMBL5705299

CC(C)C[C@@H](C(N)=O)N(C(=O)[C@H](CO)NC(=O)COc1ccc2c(c1)Nc1ccccc1S2)[C@H]1CCOC1O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 19/20 0.66
CAPNS1 P04632 16/20 0.66
CASP1 P29466 1/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 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
SCHEMBL4621783 0.95 CAPN1 (0.66) CAPN1CAPNS1CASP1CASP3CASP7
SCHEMBL4621257 0.91 CAPN1 (0.67) CAPN1CAPNS1
SCHEMBL4623074 0.90 CAPN1 (0.61) CAPN1CAPNS1CASP1CASP3CASP7
SCHEMBL4622615 0.87 CAPN1 (0.59) CAPN1CAPNS1
SCHEMBL4621656 0.85 CAPN1 (0.62) CAPN1CAPNS1
SCHEMBL4620486 0.83 CAPN1 (0.55) CAPN1CAPNS1
SCHEMBL4806806 0.82 CAPN1 (0.67) CAPN1CAPNS1CASP1CASP3CASP7
SCHEMBL4623227 0.81 CAPN1 (0.64) CAPN1CAPNS1CASP1CASP3CASP7
SCHEMBL4622782 0.80 CAPN1 (0.68) CAPN1CAPNS1CASP1CASP3CASP7
SCHEMBL4622529 0.79 CAPN1 (1.00) CAPN1CAPNS1CASP1CASP3CASP7

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-1701974-A2 NOVEL 2-HYDROXYTETRAHYDROFURANE DERIVATIVES AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-09-20 EP disclosed
WO-2005056551-A2 NOVEL 2-HYDROXYTETRAHYDROFURANE DERIVATIVES AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-06-23 WO disclosed