SCHEMBL7067555

SCHEMBL7067555

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

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
PGD P52209 1/20 0.35
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL7067552 0.92 HTT (0.37) HTTLMNA
SCHEMBL27605067 0.79 TSHR (0.46) TSHRPGDHTTALDH1A1
SCHEMBL94759 0.77 TSHR (0.48) TSHRPGDHTTALDH1A1
SCHEMBL9149983 0.77 TSHR (0.48) TSHRPGDHTT
Methylmalonic Acid SCHEMBL28186299 0.76
SCHEMBL181730 0.75 MIF (0.32) LMNA
SCHEMBL7035397 0.75 TSHR (0.46) TSHRPGDHTTALDH1A1
SCHEMBL27625179 0.75 TSHR (0.46) TSHRPGDHTTALDH1A1
SCHEMBL8972472 0.75 ALDH1A1 (0.50) TSHRALDH1A1LMNA
SCHEMBL23069532 0.74 ALDH1A1 (0.54) TSHRALDH1A1LMNA

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