SCHEMBL28409779

SCHEMBL28409779

CCCOP(=O)(C=Cc1ccccc1)OCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NR1I2 O75469 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.40
RELA Q04206 1/20 0.40
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
ADAM17 P78536 1/20 0.37
ADAM9 Q13443 1/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.36
CHRNA7 P36544 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL28412694 0.90 TDP1 (0.43) MEN1KMT2ANR1I2RELAKDM4E
SCHEMBL1296069 0.87 EGFR (0.43) ALDH1A1TDP1LMNA
SCHEMBL8661673 0.86 NR1I2 (0.53) MEN1KMT2ANR1I2ALDH1A1POLB
SCHEMBL5002639 0.86 NR1I2 (0.53) MEN1KMT2ANR1I2ALDH1A1POLB
SCHEMBL8162216 0.77 TRPA1 (0.47) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL11496444 0.76 MEN1 (0.43) MEN1KMT2ANR1I2ALDH1A1MAPT
SCHEMBL20710724 0.76 NR1I2 (0.46) MEN1KMT2ANR1I2ALDH1A1POLB
SCHEMBL28985824 0.74 TDP1 (0.44) MEN1KMT2ANR1I2KDM4ETDP1
SCHEMBL11481462 0.74 EGFR (0.43) ALDH1A1TDP1LMNA
SCHEMBL11313691 0.74 EGFR (0.43) ALDH1A1TDP1LMNA

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-111254296-B Uranium extracting agent with styryl phosphonic acid diester structure and application thereof 中南大学 2020-12-22 CN disclosed
CN-111254296-A Uranium extracting agent with styryl phosphonic acid diester structure and application thereof 中南大学 2020-06-09 CN disclosed