SCHEMBL26076709

SCHEMBL26076709

CC[C@@H](C(C)C)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)c(OC)cc21

nearest known ligand 0.88

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.88
PLA2G4A P47712 5/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EGFR P00533 3/20 0.36
LTB4R Q15722 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
SCHEMBL13596336 0.93 METTL3 (0.77) METTL3PLA2G4AMAPTTP53GAA
Elvitegravir SCHEMBL29623981 0.93 METTL3 (1.00) METTL3PLA2G4AMAPTTP53GAA
Elvitegravir SCHEMBL726251 0.93 METTL3 (1.00) METTL3PLA2G4AMAPTTP53GAA
Elvitegravir SCHEMBL726252 0.93 METTL3 (1.00) METTL3PLA2G4AMAPTTP53GAA
Elvitegravir SCHEMBL13225651 0.93 METTL3 (1.00) METTL3PLA2G4AMAPTTP53GAA
Elvitegravir SCHEMBL1050765 0.93 METTL3 (0.98) METTL3PLA2G4AMAPTTP53GAA
Elvitegravir SCHEMBL1050769 0.93 METTL3 (0.98) METTL3PLA2G4AMAPTTP53GAA
SCHEMBL22930491 0.93 METTL3 (0.86) METTL3PLA2G4AMAPTTP53GAA
Elvitegravir SCHEMBL31577400 0.92 METTL3 (0.88) METTL3PLA2G4AMAPTTP53GAA
SCHEMBL1042832 0.91 METTL3 (0.86) METTL3PLA2G4AMAPTTP53GAA

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-2023183472-A1 ANTIVIRAL PRODRUGS AND USE THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2023-09-28 WO disclosed