SCHEMBL6824658

SCHEMBL6824658

COC(=O)c1ccc(-c2ccc(Cl)cc2)c(COC(C)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EGFR P00533 2/20 0.42
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PTGS2 P35354 1/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
MAP2K4 P45985 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL6825145 0.84 EGLN2 (0.42) POLBEGFRMAPTALDH1A1L3MBTL1
SCHEMBL5937417 0.84 EGFR (0.44) EGFRMAPK14
SCHEMBL4707492 0.83 SLC6A4 (0.48) SLC6A4SLC6A3HPGDEGFRMAPT
SCHEMBL5937251 0.82 SLC6A4 (0.47) SLC6A4SLC6A3HPGDSMN1; SMN2EGFR
SCHEMBL792053 0.80 SIRT2 (0.50) HPGDTP53POLBSMN1; SMN2MAPT
SCHEMBL792121 0.79 ADRB2 (0.49) SLC6A4SLC6A3HPGDTP53POLB
SCHEMBL1521130 0.78 MAP2K4 (0.46) SLC6A4SLC6A3EGFRMAPTNPC1
SCHEMBL23484572 0.78 SLC6A3 (0.54) SLC6A4SLC6A3HPGDEGFRMAPT
SCHEMBL2417490 0.77 KDM4E (0.43) POLBSMN1; SMN2EGFRMAPTLMNA
SCHEMBL14686222 0.77 EGFR (0.50) SLC6A4SLC6A3POLBSMN1; SMN2EGFR

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
WO-2004007493-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2004-01-22 WO disclosed