SCHEMBL20008841

SCHEMBL20008841

CCC(=O)OCCCOC(=O)CS(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
HTT P42858 1/20 0.40
DGKA P23743 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FAAH O00519 1/20 0.33
DNM1 Q05193 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTR2C P28335 1/20 0.33
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
ATM Q13315 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 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
SCHEMBL9059733 0.86 ALDH1A1 (0.50) NAAADGKAALDH1A1RAD52NPSR1
SCHEMBL47576 0.85 NAAA (0.39) NAAAGAAALDH1A1HPGDCYP1A2
SCHEMBL7742119 0.84 NAAA (0.59) NAAADGKAALDH1A1RAD52NPSR1
SCHEMBL2600809 0.82 NAAA (0.73) NAAAHTTDGKAGAAALDH1A1
SCHEMBL6128331 0.82 NAAA (0.62) NAAADGKAALDH1A1RAD52NPSR1
SCHEMBL334070 0.82 NAAA (0.62) NAAADGKAALDH1A1RAD52NPSR1
SCHEMBL18140311 0.82 NAAA (0.62) NAAADGKAALDH1A1RAD52NPSR1
SCHEMBL18140142 0.82 NAAA (0.62) NAAADGKAALDH1A1RAD52NPSR1
SCHEMBL7588972 0.82 NAAA (0.62) NAAADGKAALDH1A1RAD52NPSR1
SCHEMBL9437256 0.82 NAAA (0.62) NAAADGKAALDH1A1RAD52NPSR1

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
US-20180085019-A1 ADHESIVE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING A BIO-ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-29 US disclosed