SCHEMBL16639193

SCHEMBL16639193

CCCCC(C#N)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 10/20 0.47
CA2 P00918 1/20 0.42
MAPK1 P28482 1/20 0.42
AKR1B1 P15121 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
FFAR1 O14842 2/20 0.37
PPARG P37231 6/20 0.37
PPARD Q03181 6/20 0.37
PPARA Q07869 6/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
ALDH1A1 P00352 2/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
PTPN1 P18031 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL5490601 0.94 GPR84 (0.55) GPR84AKR1B1FFAR4FFAR1PPARG
SCHEMBL28288468 0.92 GPR84 (0.58) GPR84FFAR4FFAR1PPARGPPARD
SCHEMBL3443498 0.89 GPR84 (0.39) GPR84TSHRALDH1A1TDP1SLC22A6
SCHEMBL26073020 0.89 GPR84 (0.39) GPR84TSHRALDH1A1TDP1SLC22A6
SCHEMBL3017717 0.86 GPR84 (0.40) GPR84CA2MAPK1AKR1B1FFAR4
SCHEMBL4378085 0.86 GPR84 (0.40) GPR84CA2MAPK1AKR1B1FFAR4
SCHEMBL4382761 0.86 GPR84 (0.40) GPR84CA2MAPK1AKR1B1FFAR4
SCHEMBL3017715 0.86 GPR84 (0.40) GPR84CA2MAPK1AKR1B1FFAR4
SCHEMBL4381201 0.86 GPR84 (0.40) GPR84CA2MAPK1AKR1B1FFAR4
Nitrous Acid SCHEMBL28817705 0.82 GPR84 (0.35) GPR84ALDH1A1TDP1

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-2280040-B1 Organopolysiloxane having amide group, and cosmetic material containing same SHINETSU CHEMICAL CO (JP) 2015-04-15 EP disclosed