SCHEMBL28868709

SCHEMBL28868709

O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1.PCl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.68
HPGD P15428 1/20 0.68
ALOX15 P16050 1/20 0.68
MAPT P10636 4/20 0.63
KDM4E B2RXH2 3/20 0.63
TDP1 Q9NUW8 1/20 0.63
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NR4A2 P43354 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
TBXA2R P21731 1/20 0.51
SLC6A2 P23975 1/20 0.51
PDE4A P27815 1/20 0.51
ADRA1A P35348 1/20 0.51
KDR P35968 1/20 0.51

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
SCHEMBL29437924 0.93 HSD17B10 (0.76) HSD17B10HPGDALOX15MAPTKDM4E
SCHEMBL69868 0.93 HSD17B10 (0.76) HSD17B10HPGDALOX15MAPTKDM4E
Chloromethane SCHEMBL27696108 0.91 HSD17B10 (0.68) HSD17B10HPGDALOX15MAPTKDM4E
SCHEMBL28201066 0.91 HPGD (0.68) HSD17B10HPGDALOX15MAPTKDM4E
Bicarbonate SCHEMBL27452806 0.91 HSD17B10 (0.73) HSD17B10HPGDALOX15MAPTKDM4E
Phosphine SCHEMBL28084508 0.91 HSD17B10 (0.73) HSD17B10HPGDALOX15MAPTKDM4E
Methane SCHEMBL27316738 0.91 HSD17B10 (0.73) HSD17B10HPGDALOX15MAPTKDM4E
Hydrogen Sulfide SCHEMBL28157119 0.91 HSD17B10 (0.73) HSD17B10HPGDALOX15MAPTKDM4E
SCHEMBL27402529 0.89 HSD17B10 (0.66) HSD17B10HPGDALOX15MAPTKDM4E
SCHEMBL27566769 0.89 HSD17B10 (0.70) HSD17B10HPGDALOX15MAPTKDM4E

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-109535480-A Diphenyl phosphate class phosphorous-nitrogen system bittern-free fire retardant and its preparation method and application 天津工业大学 2019-03-29 CN claimed
CN-109251356-A A kind of phosphor nitrogen combustion inhibitor and preparation method thereof based on cytimidine 中国科学院宁波材料技术与工程研究所 2019-01-22 CN disclosed