SCHEMBL21111082

SCHEMBL21111082

CC#CC(C(N)=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 10/20 0.60
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
HTT P42858 2/20 0.55
KMT2A Q03164 2/20 0.55
HPGD P15428 2/20 0.55
CYP2C19 P33261 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
SMAD3 P84022 1/20 0.55
PRMT1 Q99873 1/20 0.55
ACE2 Q9BYF1 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
GSTP1 P09211 1/20 0.42
LMNA P02545 2/20 0.41
ALOX12 P18054 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL27637121 0.83 FTO (0.65) FTOMAPTMEN1HTTKMT2A
SCHEMBL2019142 0.82 FTO (0.63) FTOMAPTMEN1HTTKMT2A
SCHEMBL20073857 0.80 FTO (0.67) FTOMAPTMEN1HTTKMT2A
SCHEMBL27833470 0.77 FTO (0.83) FTOMAPTMEN1HTTKMT2A
SCHEMBL220211 0.76 FTO (1.00) FTOMAPTMEN1HTTKMT2A
SCHEMBL29413057 0.76 FTO (1.00) FTOMAPTMEN1HTTKMT2A
SCHEMBL15059064 0.76 FTO (0.70) FTOMAPTMEN1HTTKMT2A
SCHEMBL29995323 0.76 FTO (0.70) FTOMAPTMEN1HTTKMT2A
Fluorescein SCHEMBL3892589 0.76 FTO (0.85) FTOMAPTMEN1HTTKMT2A
SCHEMBL17035192 0.75 FTO (0.60) FTOMAPTMEN1HTTKMT2A

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
WO-2019135010-A1 TIACUMICIN DERIVATIVES AND THEIR USE AS ANTIBIOTICS Universität Zürich (CH) 2019-07-11 WO disclosed
EP-3508492-A1 TIACUMICIN DERIVATIVES AND THEIR USE AS ANTIBIOTICS Universität Zürich (CH) 2019-07-10 EP disclosed