SCHEMBL29989458

SCHEMBL29989458

CCC(=O)OCCSCC(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.42
KDM1A O60341 1/20 0.35
TSHR P16473 4/20 0.34
GAA P10253 3/20 0.34
ALDH1A1 P00352 3/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 3/20 0.32
MGAM O43451 2/20 0.32
SI P14410 2/20 0.32
MGAM2 Q2M2H8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
WRN Q14191 1/20 0.32
HIF1A Q16665 1/20 0.32
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL14389723 0.79 NAAA (0.48) NAAATSHRGAAALDH1A1HTT
SCHEMBL5638161 0.79 TSHR (0.40) KDM1ATSHRGAAALDH1A1HSD17B10
SCHEMBL9517329 0.79 TSHR (0.48) KDM1ATSHRGAAALDH1A1HSD17B10
SCHEMBL25923053 0.78 NAAA (0.52) NAAAGAAALDH1A1HTTKDM4E
SCHEMBL774678 0.77
SCHEMBL25923035 0.75 NAAA (0.38) NAAATSHRGAAALDH1A1HPGD
SCHEMBL15282914 0.74 KDM1A (0.47) KDM1ATSHRGAAALDH1A1HSD17B10
SCHEMBL15583422 0.74 NAAA (0.52) NAAATSHRGAAALDH1A1HTT
SCHEMBL28241564 0.74 NAAA (0.59) NAAAALDH1A1HTTHSD17B10BLM
SCHEMBL11056301 0.73 TSHR (0.53) KDM1ATSHRGAAALDH1A1HSD17B10

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
WO-2022209725-A1 POLYCARBONATE RESIN COMPOSITION 旭化成株式会社 2022-10-06 WO disclosed