SCHEMBL28538119

SCHEMBL28538119

O=P(O)(Oc1ccc(CO)cc1)Oc1ccc(CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LTA4H P09960 1/20 0.47
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
BLM P54132 1/20 0.40
SRC P12931 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN1 P18031 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL17169181 0.91 CYP2C19 (0.46) CES2CES1CYP2C19SMN1; SMN2PPARG
SCHEMBL4957575 0.87 SRC (0.56) CYP2C19SMN1; SMN2LTA4HPPARGPPARA
SCHEMBL1982061 0.84 TSHR (0.52) CYP2C19SMN1; SMN2LTA4HPPARGPPARA
SCHEMBL2150400 0.81 SMN1; SMN2 (0.72) CES2CES1CYP2C19SMN1; SMN2PPARG
SCHEMBL28531381 0.81 CES2 (0.48) CES2CES1CYP2C19SMN1; SMN2BLM
SCHEMBL29256769 0.78 LTA4H (0.62) CYP2C19LTA4HPPARGPPARASRC
SCHEMBL15559466 0.78 LTA4H (0.52) CES2CES1CYP2C19SMN1; SMN2LTA4H
SCHEMBL8579627 0.76 ALDH1A1 (0.53) CES2CES1CYP2C19SMN1; SMN2PPARG
SCHEMBL14583060 0.76 CYP3A4 (0.48) CYP2C19SMN1; SMN2LTA4HPPARGPPARA
SCHEMBL9502857 0.75 PTPN1 (0.66) CYP2C19SMN1; SMN2LTA4HPPARGPPARA

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-112549227-B Reactive flame-retardant wood veneer and preparation method thereof, and flame-retardant plywood and preparation method thereof 湖北福汉木业有限公司 2022-05-27 CN disclosed
CN-112549227-A Reactive flame-retardant wood veneer and preparation method thereof, and flame-retardant plywood and preparation method thereof 湖北福汉木业有限公司 2021-03-26 CN disclosed