SCHEMBL28005105

SCHEMBL28005105

CCC(CC)(O[PH](=O)OC(CC)(CC)C(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
HTT P42858 1/20 0.38
GSK3B P49841 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ELANE P08246 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
OPRK1 P41145 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
SCHEMBL28005109 0.85 CA2 (0.42) ALDH1A1KDM4EGAASMN1; SMN2CES2
SCHEMBL28005431 0.84 HTR7 (0.40) ALDH1A1KDM4EGAACES2CES1
SCHEMBL28005111 0.75 CA2 (0.42) ALDH1A1GAASMN1; SMN2CES2CES1
SCHEMBL28005433 0.74 HTR7 (0.40) ALDH1A1KDM4EGAACES2CES1
SCHEMBL11197754 0.72 CES2 (0.46) ALDH1A1KDM4EPOLBGAACTDSP1
Bromide SCHEMBL17180534 0.70 CES2 (0.45) ALDH1A1KDM4EPOLBGAACTDSP1
SCHEMBL1040726 0.68 GSK3B (0.50) ALDH1A1KDM4EPOLBSMN1; SMN2CES2
SCHEMBL2291291 0.68 ALOX15 (0.45) ALDH1A1KDM4EPOLBGAACTDSP1
SCHEMBL14156785 0.68 MAPT (0.42) ALDH1A1KDM4EPOLBGAACTDSP1
SCHEMBL11252638 0.67 GSK3B (0.48) ALDH1A1KDM4EPOLBSMN1; SMN2CES2

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-104341449-A Method for preparing beta-carbonyl phosphonate derivatives UNIV SOOCHOW 2015-02-11 CN disclosed