SCHEMBL3423347

SCHEMBL3423347

CCCCC(O)OC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.47
CA1 P00915 3/20 0.47
MAPK1 P28482 1/20 0.39
GPR84 Q9NQS5 4/20 0.38
FFAR1 O14842 1/20 0.38
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
SLC15A1 P46059 1/20 0.36
ALOX15 P16050 1/20 0.36
FDPS P14324 1/20 0.35

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
SCHEMBL1132886 0.86
Hydrogen Sulfide SCHEMBL27279456 0.84 TSHR (0.42) CA2CA1GPR84SLC1A3SLC1A2
SCHEMBL9445341 0.82 CA2 (0.42) CA2CA1MAPK1GPR84FFAR1
Trimethylammonium SCHEMBL2521116 0.81 CHRNB2 (0.37) CA2CA1SLC1A3SLC1A2SLC1A1
SCHEMBL9445345 0.80 CA2 (0.45) CA2CA1MAPK1GPR84FFAR1
SCHEMBL28176797 0.80 LMNA (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL861395 0.80 ALDH1A1 (0.43) CA2CA1MAPK1GPR84FFAR1
SCHEMBL5712402 0.78 LMNA (0.48) CA2CA1MAPK1FFAR1LMNA
SCHEMBL11665825 0.78 CA1 (0.38) CA2CA1GPR84FFAR1LMNA
SCHEMBL223940 0.78 LMNA (0.50) CA2CA1MAPK1CHRM2CHRM4

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
CN-102105496-A Method of making carbamate functional materials BASF CORP 2011-06-22 CN disclosed
EP-2197921-A1 METHOD OF MAKING CARBAMATE FUNCTIONAL MATERIALS BASF Coatings GmbH (US) 2010-06-23 EP disclosed
WO-2009035667-A1 METHOD OF MAKING CARBAMATE FUNCTIONAL MATERIALS BASF CORPORATION (US) 2009-03-19 WO disclosed
US-4085129-A FROM A PHENOL, DIALKYLAMIDE AND PHOSGENE HOECHST AKTIENGESELLSCHAFT (DT) 1978-04-18 US disclosed