SCHEMBL7613286

SCHEMBL7613286

CC(O)CC(CC(=O)O)CC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.52
CACNB3 P54284 1/20 0.52
CACNA1C Q13936 1/20 0.52
PGR P06401 1/20 0.52
ADRA1A P35348 1/20 0.52
HTR2B P41595 1/20 0.52
CACNA2D2 Q9NY47 1/20 0.52
SLC22A6 Q4U2R8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.39
GABRR1 P24046 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.36
GPR84 Q9NQS5 4/20 0.35
MME P08473 1/20 0.32

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
SCHEMBL1410027 0.81 CACNA2D1 (0.74) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL8292735 0.79 SLC22A6 (0.60) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL976030 0.79 SLC22A6 (0.60) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL18113005 0.79 SLC22A6 (0.46) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5317803 0.79 ALDH1A1 (0.50) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL27898435 0.79 SLC22A6 (0.46) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL976447 0.79 SLC22A6 (0.60) CACNA2D1CACNB3CACNA1CPGRADRA1A
3-Hydroxybutyric Acid, (+/-)- SCHEMBL1897117 0.77 SLC22A6 (0.56) CACNA2D1CACNB3CACNA1CPGRADRA1A
(R)-3-Hydroxybutanoate SCHEMBL29903959 0.77
3-Hydroxybutyric Acid, (+/-)- SCHEMBL1881926 0.77 SLC22A6 (0.56) CACNA2D1CACNB3CACNA1CPGRADRA1A

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
US-6498132-B2 SURFACE TREATMENT COMPOSITION COMPRISES A COMPLEXING AGENT AS A METAL DEPOSITION PREVENTIVE COMPRISING ATLEAST ONE AROMATIC HYDROCARBON RING CONTAINING HYDROXY OR O-GROUP DIRECTLY ATTACHED WITH RING CARBON AND A SECOND COMPLEXING AGENT MITSUBISHI CHEMICAL CORPORATION (JP) 2002-12-24 US disclosed
US-20020045556-A1 Method for treating surface of substrate and surface treatment composition used for the same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-04-18 US disclosed
US-5885362-A APPLYING TO SURFACE A COMPOSITION COMPRISING A LIQUID MEDIUM AND AT LEAST ONE COMPLEXING AGENT, FOR EXAMPLE ETHYLENEDIAMINEDIORTHOHYDROXYPHENYLACETIC ACID MITSUBISHI CHEMICAL CORPORATION (JP) 1999-03-23 US disclosed
EP-0789071-A1 METHOD FOR TREATING SURFACE OF SUBSTRATE AND SURFACE TREATMENT COMPOSITION THEREFOR MITSUBISHI CHEMICAL CORPORATION (JP) 1997-08-13 EP disclosed