SCHEMBL10503572

SCHEMBL10503572

C=CCSC(C)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.32
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
BHMT Q93088 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
SCHEMBL10639410 0.80 SLC6A2 (0.42)
SCHEMBL9575892 0.75 SLC6A2 (0.36) SLC22A6TDP1SMN1; SMN2BHMT
SCHEMBL8979305 0.75 CPB1 (0.44) SLC22A6TDP1SMN1; SMN2
SCHEMBL15297856 0.75 SLC22A6 (0.39) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL5526590 0.74
SCHEMBL8751207 0.73
SCHEMBL11212300 0.72
Propionic Acid SCHEMBL5495603 0.72 FFAR3 (0.39)
SCHEMBL10260123 0.71 TSHR (0.31)
SCHEMBL21713279 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4806675-A CATALYTIC ESTERIFICATION WITH HYDROXYALKANOIC AND THIOALKANOIC ACIDS; HEAT AND OXIDATION RESISTANCE MALLINCKRODT, INC. (US) 1989-02-21 US disclosed
US-4794138-A STABILIZERS OF ORGANIC MATERIAL NORMALLY SUSCEPTIBLE TO OXIDATIVE AND/OR THERMAL DETERIORATION MALLINCKRODT, INC. (US) 1988-12-27 US disclosed
US-4772741-A STABILIZERS FOR POLYMERS MILLINCKRODT, INC. (US) 1988-09-20 US disclosed
US-4734519-A STABILIZERS MALLINCKRODT, INC. (US) 1988-03-29 US disclosed
EP-0250087-A1 Pentaerythritol co-esters MALLINCKRODT, INC. (US) 1987-12-23 EP disclosed