SCHEMBL28640641

SCHEMBL28640641

CC(O)(C(=O)O)P(=O)(O)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.52
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ANPEP P15144 2/20 0.41
LAP3 P28838 2/20 0.41
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 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
SCHEMBL5897154 0.80 SRC (0.53) SRCALDH1A1L3MBTL1TDP1ANPEP
SCHEMBL1491260 0.79 SRC (0.57) SRCALDH1A1L3MBTL1TDP1ANPEP
SCHEMBL1491262 0.75 SRC (0.52) SRCALDH1A1L3MBTL1TDP1ANPEP
SCHEMBL2353943 0.74 SRC (0.50) SRCALDH1A1L3MBTL1TDP1ANPEP
SCHEMBL6050586 0.73 SRC (0.54) SRCALDH1A1L3MBTL1TDP1ANPEP
Tert-Butanol SCHEMBL28023073 0.71 ALDH1A1 (0.55) SRCALDH1A1L3MBTL1TDP1ANPEP
Phenyl Dihydrogen Phosphate SCHEMBL28023474 0.71 SRC (0.83) SRCALDH1A1L3MBTL1TDP1ANPEP
SCHEMBL4611210 0.70 SRC (0.50) SRCALDH1A1L3MBTL1TDP1ANPEP
SCHEMBL525387 0.70 SRC (0.55) SRCALDH1A1L3MBTL1TDP1ANPEP
SCHEMBL22186637 0.70 ALDH1A1 (0.47) SRCALDH1A1ANPEPLAP3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109537080-B Liquid flame retardant based on phenyl phosphoryl propionic acid diethylene glycol ester and preparation method thereof 上海炼升化工股份有限公司 2021-05-11 CN disclosed