SCHEMBL5705355

SCHEMBL5705355

CC(=O)OC1OCC[C@@H]1N[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 8/20 0.42
CAPNS1 P04632 1/20 0.41
CNR2 P34972 6/20 0.34
CNR1 P21554 3/20 0.34
POLB P06746 2/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3635782 0.87 CAPN1 (0.36) CAPN1CNR2CNR1POLBSMN1; SMN2
SCHEMBL4622515 0.80 CAPN1 (0.46) CAPN1CAPNS1
SCHEMBL3588905 0.77 CAPN1 (0.44) CAPN1
SCHEMBL3588879 0.77 CAPN1 (0.47) CAPN1CAPNS1
SCHEMBL27428208 0.76 CAPN1 (0.57) CAPN1CAPNS1
SCHEMBL7515309 0.76 CAPN1 (0.57) CAPN1CAPNS1
SCHEMBL27428206 0.76 CAPN1 (0.57) CAPN1CAPNS1
SCHEMBL3583085 0.73 CASP1 (0.42) CAPN1CAPNS1
SCHEMBL3579899 0.73 CASP1 (0.42) CAPN1CAPNS1
SCHEMBL8812311 0.72 CAPN1 (0.51) CAPN1CAPNS1

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