SCHEMBL7489681

SCHEMBL7489681

CC(C)(CF)n1cc(OC(=O)O)c(=O)c2cc(F)c(F)cc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 6/20 0.35
TP53 P04637 2/20 0.33
DRD3 P35462 1/20 0.33
HPGD P15428 6/20 0.33
KDM4E B2RXH2 6/20 0.33
HSD17B10 Q99714 5/20 0.33
LMNA P02545 3/20 0.33
BRD4 O60885 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
CYP2J2 P51589 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL7608728 0.91 KMT2A (0.38) KMT2AALDH1A1TP53DRD3HPGD
SCHEMBL7498887 0.90 KMT2A (0.38) KMT2AALDH1A1TP53DRD3HPGD
SCHEMBL7493229 0.86 KMT2A (0.36) KMT2AALDH1A1TP53DRD3HPGD
SCHEMBL7491805 0.86 KMT2A (0.36) KMT2AALDH1A1TP53DRD3HPGD
SCHEMBL7489676 0.83 ALDH1A1 (0.47) KMT2AALDH1A1DRD3HPGDKDM4E
SCHEMBL9048011 0.80 LMNA (0.32) KDM4ELMNA
SCHEMBL6211422 0.79 ALDH1A1 (0.49) KMT2AALDH1A1TP53DRD3HPGD
SCHEMBL6211826 0.79 HPGD (0.51) KMT2AALDH1A1DRD3HPGDKDM4E
SCHEMBL8922894 0.78 KMT2A (0.61) KMT2AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8136325 0.77 KMT2A (0.39) KMT2AALDH1A1TP53DRD3HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944385-B1 USE OF 7-(1-AMINOMETHYL-2-OXA-7-AZA-BICYCLO 3.3.0]OCT-7-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDONE CARBOXYLIC ACID DERIVATIVES FOR TREATING HELICOBACTER PYLORI INFECTIONS AND THE GASTRODUODENAL DISEASES ASSOCIATED THEREWITH BAYER AG (DE) 2002-10-16 EP disclosed
EP-0705828-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1999-12-01 EP disclosed
EP-0705828-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-04-10 EP disclosed