SCHEMBL22092201

SCHEMBL22092201

CCCCC(CC)=C(C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.46
CES2 O00748 1/20 0.46
ALDH1A1 P00352 4/20 0.42
AKR1B1 P15121 1/20 0.42
TP53 P04637 1/20 0.42
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 7/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 7/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
PTPN1 P18031 3/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL22092214 0.93 AKR1B1 (0.52) CES1CES2ALDH1A1AKR1B1GPR84
SCHEMBL22092351 0.91 GPR84 (0.54) CES1CES2ALDH1A1AKR1B1GPR84
SCHEMBL17386431 0.90 CES1 (0.50) CES1CES2ALDH1A1AKR1B1TP53
SCHEMBL26688788 0.85 FFAR3 (0.46) CES1CES2ALDH1A1AKR1B1GPR84
SCHEMBL11020077 0.83 AKR1B1 (0.56) CES1CES2ALDH1A1AKR1B1GPR84
SCHEMBL22227521 0.81 GPR84 (0.58) CES1CES2ALDH1A1AKR1B1GPR84
SCHEMBL8667616 0.81 GPR84 (0.58) CES1CES2ALDH1A1AKR1B1GPR84
SCHEMBL28637199 0.81 GPR84 (0.58) CES1CES2ALDH1A1AKR1B1GPR84
SCHEMBL28616917 0.81 GPR84 (0.58) CES1CES2ALDH1A1AKR1B1GPR84
SCHEMBL3870298 0.79 FNTA (0.50) CES1CES2ALDH1A1AKR1B1TP53

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
EP-3191530-B1 SOLUTION POLYMERS INCLUDING ONE OR MORE 1,1-DISUBSTITUTED ALKENE COMPOUNDS, SOLUTION POLYMERIZATION METHODS, AND POLYMER COMPOSITIONS SIRRUS INC (US) 2020-11-11 EP claimed
EP-3191546-B1 EMULSION POLYMERS INCLUDING ONE OR MORE 1,1-DISUBSTITUTED ALKENE COMPOUNDS, EMULSION METHODS, AND POLYMER COMPOSITIONS SIRRUS INC (US) 2020-07-22 EP claimed
US-20210309780-A1 METHYLENE MALONATE MONOMERS AND MULTIFUNCTIONAL MACROMERS AS ADDITIVES DURING PLASTICS PROCESSING SIRRUS, INC. 2021-10-07 US disclosed
WO-2020123579-A1 POLYMERIZATION OF 1,1-DICARBONYL 1-ALKENES SIRRUS, INC. (US) 2020-06-18 WO disclosed
WO-2020123581-A1 EMULSION POLYMERS OF 1,1-DICARBONYL 1-ALKENES OF CONTROLLED PARTICLE SIZE SIRRUS, INC. (US) 2020-06-18 WO disclosed