SCHEMBL6825145

SCHEMBL6825145

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.42
PLAU P00749 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
KDM1A O60341 1/20 0.41
KDM5A P29375 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
EGFR P00533 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
AR P10275 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL6925340 0.84 MAP4K4 (0.45) EGLN2PLAUPOLBRXFP1MRGPRX4
SCHEMBL6824658 0.84 SLC6A4 (0.45) L3MBTL1POLBEGFRALDH1A1MAPT
SCHEMBL5937417 0.81 EGFR (0.44) MRGPRX4EGFR
SCHEMBL6924636 0.78 SLC2A1 (0.51) EGLN2PLAUPOLBRXFP1KDM1A
SCHEMBL18973312 0.77 RAB9A (0.48) TDP1RXFP1MRGPRX4ALDH1A1MAPT
SCHEMBL2428847 0.76 MAPK14 (0.52) EGLN2PLAUPOLBRXFP1KDM1A
SCHEMBL7401479 0.74 CA1 (0.53) EGLN2PLAUTDP1L3MBTL1POLB
SCHEMBL13063631 0.74 CA1 (0.53) EGLN2PLAUTDP1L3MBTL1POLB
SCHEMBL2417490 0.74 KDM4E (0.43) TDP1L3MBTL1POLBEGFRALDH1A1
SCHEMBL14901975 0.74 ALDH1A1 (0.48) TDP1ALDH1A1MAPT

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