SCHEMBL8722994

SCHEMBL8722994

CC(=O)SC(C)C(=O)O.NCCOCCO

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.33
GABRR1 P24046 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CTH P32929 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
Alanine SCHEMBL19668572 0.81 TSHR (0.42) GABRR1TSHRMAPK1MEN1KMT2A
Acetic Acid SCHEMBL4393167 0.78 TSHR (0.48) GABRR1TSHRMAPK1MEN1KMT2A
SCHEMBL8722138 0.78 TSHR (0.39) GABRR1TSHRMAPK1MEN1KMT2A
Di(Hydroxyethyl)Ether SCHEMBL27928626 0.74 TSHR (0.53) GABRR1TSHRMAPK1MEN1KMT2A
SCHEMBL6896886 0.74
SCHEMBL668603 0.74
SCHEMBL15669276 0.74
SCHEMBL9016123 0.73 TSHR (0.46) TSHRMAPK1MEN1KMT2A
Acetic Acid SCHEMBL1246809 0.72 TSHR (0.36) GABRR1TSHRMAPK1MEN1KMT2A
SCHEMBL6889050 0.71 MEN1 (0.50) TSHRMAPK1MEN1KMT2A

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
US-5834224-A DETERMINATION OF ANALYTE BY ELECTROCHEMICAL MEASUREMENT BOEHRINGER MANNHEIN GMBH (DE) 1998-11-10 US disclosed
US-5763191-A BINDING MATRIX BOEHRINGER MANNHEIM GMBH (DE) 1998-06-09 US disclosed