SCHEMBL7067552

SCHEMBL7067552

CC(C)(C)CC(=O)OC(=O)C(O)C(O)C(=O)OC(=O)CC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
MIF P14174 1/20 0.32
LMNA P02545 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
SCHEMBL7067555 0.92 TSHR (0.39) HTTLMNA
SCHEMBL181730 0.82 MIF (0.32) MIFLMNA
SCHEMBL385886 0.80 ALDH1A1 (0.41) MIFLMNA
SCHEMBL6970029 0.78 CA2 (0.38) MIF
SCHEMBL165589 0.75 NAAA (0.39) HTTLMNA
Methylmalonic Acid SCHEMBL28186299 0.74
SCHEMBL27475793 0.73 HMGCR (0.36) MIFLMNA
SCHEMBL182236 0.73 ALDH1A1 (0.42) MIFLMNA
SCHEMBL2182293 0.73 ALDH1A1 (0.45) HTTMIFLMNA
SCHEMBL28992512 0.72 MMP8 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317267-A2 COMPOSITIONS CONTAINING DIACYLTARTARIC SALTS OF (E)-METANICOTINE Targacept, Inc. (US) 2003-06-11 EP disclosed
EP-1311265-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL DISORDERS Targacept, Inc. (US) 2003-05-21 EP disclosed
WO-2002005801-A2 COMPOSITIONS CONTAINING DIACYLTARTARIC SALTS OF (E)-METANICOTINE TARGACEPT, INC. (US) 2002-01-24 WO disclosed
WO-2002005798-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL DISORDERS TARGACEPT, INC. (US) 2002-01-24 WO disclosed