SCHEMBL4777023

SCHEMBL4777023

COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2C(C)C(C)CO

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.83
PLA2G4A P47712 5/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.37
LTB4R Q15722 1/20 0.36
EGFR P00533 3/20 0.36
POLB P06746 1/20 0.36
CMA1 P23946 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL4778490 1.00 METTL3 (0.83) METTL3PLA2G4AMAPTGAATP53
SCHEMBL1044577 0.93 METTL3 (0.86) METTL3PLA2G4AMAPTGAATP53
SCHEMBL1044579 0.93 METTL3 (0.86) METTL3PLA2G4AMAPTGAATP53
Elvitegravir SCHEMBL29623981 0.91 METTL3 (1.00) METTL3PLA2G4AMAPTGAATP53
Elvitegravir SCHEMBL726251 0.91 METTL3 (1.00) METTL3PLA2G4AMAPTGAATP53
Elvitegravir SCHEMBL726252 0.91 METTL3 (1.00) METTL3PLA2G4AMAPTGAATP53
Elvitegravir SCHEMBL13225651 0.91 METTL3 (1.00) METTL3PLA2G4AMAPTGAATP53
SCHEMBL15068363 0.90 METTL3 (0.86) METTL3PLA2G4AMAPTGAATP53
SCHEMBL1042832 0.90 METTL3 (0.86) METTL3PLA2G4AMAPTGAATP53
SCHEMBL17341018 0.90 METTL3 (0.78) METTL3PLA2G4AMAPTGAATP53

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
EP-1978960-A1 USE OF 6-(3-CHLORO-2-FLUOROBENZYL)-1-Ý(2S)-1-HYDROXY-3-METHYLBUTAN-2-YL¨-7-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID OR SALT THEREOF FOR TREATING RETROVIRUS INFECTION JAPAN TOBACCO INC. (JP) 2008-10-15 EP disclosed
WO-2007089030-A1 USE OF 6-(3-CHLORO-2-FLUOROBENZYL)-1-[(2S)-1-HYDROXY-3-METHYLBUTAN-2-YL]-7-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID OR SALT THEREOF FOR TREATING RETROVIRUS INFECTION JAPAN TOBACCO INC. (JP) 2007-08-09 WO disclosed