SCHEMBL17998002

SCHEMBL17998002

CC(S)CC(=O)O.CC(S)CC(=O)O.CC(S)CC(=O)O.CCC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
TSHR P16473 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PTGS2 P35354 1/20 0.34
CACNA2D1 P54289 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
FFAR3 O14843 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33

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
SCHEMBL17998006 1.00 GPR84 (0.36) GPR84TDP1TSHRSLC22A6ALDH1A1
SCHEMBL17998008 0.88 SLC22A6 (0.39) TDP1TSHRSLC22A6ALDH1A1LMNA
SCHEMBL17998004 0.88 SLC22A6 (0.39) TDP1TSHRSLC22A6ALDH1A1LMNA
Propane SCHEMBL28262292 0.85 SLC22A6 (0.41) GPR84TDP1SLC22A6ALDH1A1LMNA
SCHEMBL20966262 0.85
SCHEMBL98745 0.85
SCHEMBL8612540 0.85
Butane SCHEMBL28258468 0.83 GPR84 (0.40) GPR84TDP1SLC22A6ALDH1A1LMNA
Butane SCHEMBL28286004 0.83 GPR84 (0.40) GPR84TDP1SLC22A6ALDH1A1LMNA
Methyl Alcohol SCHEMBL30549331 0.83 SLC22A6 (0.43) TDP1TSHRSLC22A6ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2436715-B1 EPOXY RESIN-BASED COATING COMPOSITION SHOWA DENKO KK (JP) 2016-08-24 EP claimed