SCHEMBL8000648

SCHEMBL8000648

CCC(=O)OCCOOCCOC(=O)CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.56
DGKA P23743 1/20 0.44
GAA P10253 2/20 0.42
ALDH1A1 P00352 6/20 0.40
BLM P54132 2/20 0.40
CYP2C19 P33261 2/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
WRN Q14191 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
SOAT1 P35610 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
TSHR P16473 1/20 0.37
DNM1 Q05193 1/20 0.36

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
SCHEMBL50301 0.91 NAAA (0.64) NAAADGKAGAAALDH1A1BLM
Water SCHEMBL28123302 0.88 NAAA (0.61) NAAADGKAGAAALDH1A1BLM
SCHEMBL27659554 0.87 NAAA (0.50) NAAADGKAGAAALDH1A1BLM
SCHEMBL14493549 0.87 NAAA (0.50) NAAADGKAGAAALDH1A1BLM
SCHEMBL14493545 0.87 NAAA (0.50) NAAADGKAGAAALDH1A1BLM
Ethylene SCHEMBL6759867 0.86 NAAA (0.58) NAAADGKAGAAALDH1A1BLM
Ethylene SCHEMBL9937082 0.86 NAAA (0.58) NAAADGKAGAAALDH1A1BLM
SCHEMBL15635454 0.83 NAAA (0.56) NAAADGKAGAAALDH1A1BLM
SCHEMBL12673159 0.83 NAAA (0.56) NAAADGKAGAAALDH1A1BLM
SCHEMBL3114270 0.83 NAAA (0.56) NAAADGKAGAAALDH1A1BLM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6040389-A SULFUR VULCANIZED RUBBER THE GOODYEAR TIRE & RUBBER COMPANY (US) 2000-03-21 US disclosed
EP-0960906-A1 Bis(Hydroxyalkyl Alkyl Ester) Polysulfides THE GOODYEAR TIRE & RUBBER COMPANY (US) 1999-12-01 EP disclosed