SCHEMBL28058520

SCHEMBL28058520

CCCCCCCCCCCCCCCOOOOC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
CES2 O00748 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
EPHX1 P07099 1/20 0.41
GPR84 Q9NQS5 7/20 0.40
TSHR P16473 6/20 0.40
PPARG P37231 6/20 0.40
PPARD Q03181 6/20 0.40
PPARA Q07869 6/20 0.40
HDAC11 Q96DB2 5/20 0.40
ALDH1A1 P00352 2/20 0.40
TLR2 O60603 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
FABP4 P15090 2/20 0.40
PTPN1 P18031 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL5704690 1.00 NAAA (0.44) NAAACES2HCAR2EPHX1GPR84
SCHEMBL28058492 1.00 NAAA (0.44) NAAACES2HCAR2EPHX1GPR84
SCHEMBL28058421 1.00 NAAA (0.44) NAAACES2HCAR2EPHX1GPR84
SCHEMBL28058525 1.00 NAAA (0.44) NAAACES2HCAR2EPHX1GPR84
SCHEMBL5672266 1.00 NAAA (0.44) NAAACES2HCAR2EPHX1GPR84
SCHEMBL28058414 1.00 NAAA (0.44) NAAACES2HCAR2EPHX1GPR84
SCHEMBL28058521 1.00 NAAA (0.44) NAAACES2HCAR2EPHX1GPR84
SCHEMBL29172804 1.00 NAAA (0.44) NAAACES2HCAR2EPHX1GPR84
SCHEMBL7519579 0.98 NAAA (0.42) NAAACES2HCAR2EPHX1GPR84
SCHEMBL3011295 0.98 NAAA (0.42) NAAACES2HCAR2EPHX1GPR84

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
CN-105579431-A Ether-containing monoester compound and use thereof MORESCO CORP 2016-05-11 CN disclosed