SCHEMBL28080380

SCHEMBL28080380

OCC(CO)(CO)CO.c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
LTA4H P09960 3/20 0.38
TSHR P16473 2/20 0.35
KCNA3 P22001 1/20 0.34
ALOX15 P16050 1/20 0.34
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NR1H2 P55055 1/20 0.32
BAX Q07812 1/20 0.32
CA4 P22748 1/20 0.32
TTR P02766 1/20 0.32
MAPK1 P28482 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
SCHEMBL11426341 0.85 ALDH1A1 (0.39) ALDH1A1RECQLLTA4HTSHRKCNA3
SCHEMBL6664633 0.84 ALDH1A1 (0.35) ALDH1A1RECQLLTA4HTSHRKCNA3
SCHEMBL28721595 0.83 ALDH1A1 (0.38) ALDH1A1RECQLLTA4HTSHRKCNA3
Alcohol SCHEMBL29217393 0.82 ALDH1A1 (0.43) ALDH1A1RECQLLTA4HTSHRKCNA3
SCHEMBL13289 0.81 LTA4H (0.50) ALDH1A1RECQLLTA4HTSHRKCNA3
SCHEMBL6479491 0.79 LTA4H (0.43) ALDH1A1RECQLLTA4HTSHRKCNA3
SCHEMBL11681119 0.78 LTA4H (0.47) ALDH1A1RECQLLTA4HTSHRKCNA3
SCHEMBL3009883 0.78 LTA4H (0.47) ALDH1A1RECQLLTA4HTSHRKCNA3
Iodide SCHEMBL5553135 0.78 LTA4H (0.47) ALDH1A1RECQLLTA4HTSHRKCNA3
SCHEMBL8662152 0.78 LTA4H (0.47) ALDH1A1RECQLLTA4HTSHRKCNA3

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-105778435-A PET compound of heat and ageing resistant insulation film, and preparation method thereof 江苏裕兴薄膜科技股份有限公司 2016-07-20 CN claimed
CN-105778435-A PET compound of heat and ageing resistant insulation film, and preparation method thereof 江苏裕兴薄膜科技股份有限公司 2016-07-20 CN disclosed