SCHEMBL28836631

SCHEMBL28836631

C=C(CCOP(=O)(Oc1ccccc1)Oc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.42
ALDH1A1 P00352 1/20 0.38
ELANE P08246 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKM P14618 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL289797 0.83 BTN3A1 (0.44) SRCALDH1A1ELANEL3MBTL1TDP1
SCHEMBL29163902 0.80 THRB (0.42) SRCALDH1A1ELANEL3MBTL1TDP1
SCHEMBL343402 0.79 SRC (0.52) SRCELANEL3MBTL1TDP1PKM
Methacrylic Acid SCHEMBL28582406 0.79 L3MBTL1 (0.41) SRCALDH1A1ELANEL3MBTL1PKM
SCHEMBL44088 0.76 CYP1A2 (0.54) ALDH1A1PKMCYP2C9CYP2C19
SCHEMBL7073797 0.76 ALDH1A1 (0.50) SRCALDH1A1ELANEL3MBTL1TDP1
SCHEMBL32667934 0.76 SRC (0.48) SRCELANEL3MBTL1TDP1PKM
SCHEMBL9818167 0.76 SRC (0.48) SRCELANEL3MBTL1TDP1PKM
Methacrylic Acid SCHEMBL2511960 0.76 POLB (0.42) SRCALDH1A1ELANEL3MBTL1TDP1
SCHEMBL222126 0.75 POLB (0.44) SRCALDH1A1ELANEL3MBTL1TDP1

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-114874393-A Flame-retardant phosphorus-containing acrylate core-shell emulsion and preparation method thereof 中铁上海工程局集团市政环保工程有限公司 2022-08-09 CN disclosed