SCHEMBL28154352

SCHEMBL28154352

CCC(=O)OCCC(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
GAA P10253 2/20 0.39
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
WRN Q14191 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 1/20 0.36
DGKA P23743 1/20 0.35
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
DNM1 Q05193 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CYP19A1 P11511 1/20 0.33
SOAT1 P35610 1/20 0.33

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
SCHEMBL24586928 0.86 NAAA (0.50) NAAAGAAHTTALDH1A1CYP1A2
SCHEMBL22127640 0.84 NAAA (0.48) NAAAGAAHTTALDH1A1CYP1A2
SCHEMBL447819 0.84 NAAA (0.48) NAAAGAAHTTALDH1A1CYP1A2
SCHEMBL7047744 0.82 DGKA (0.47) NAAAALDH1A1BLMKDM4EDGKA
SCHEMBL2256268 0.82 NAAA (0.47) NAAAGAAHTTALDH1A1CYP1A2
SCHEMBL126952 0.81 NAAA (0.50) NAAAGAAHTTALDH1A1KDM4E
SCHEMBL21518280 0.81 NAAA (0.50) NAAAGAAHTTALDH1A1CYP1A2
SCHEMBL28572438 0.81 NAAA (0.50) NAAAGAAHTTALDH1A1KDM4E
SCHEMBL24586198 0.80 NAAA (0.45) NAAAGAAHTTALDH1A1CYP1A2
SCHEMBL24587247 0.80 NAAA (0.45) NAAAGAAHTTALDH1A1CYP1A2

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
CN-107109205-A Coated proppants containing hyperbranched polyurethane coatings and methods of use thereof 佐治亚-太平洋化工品有限公司 2017-08-29 CN claimed
CN-107109205-A Coated proppants containing hyperbranched polyurethane coatings and methods of use thereof 佐治亚-太平洋化工品有限公司 2017-08-29 CN disclosed