SCHEMBL7608724

SCHEMBL7608724

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
DRD3 P35462 1/20 0.44
KDM4E B2RXH2 7/20 0.43
HPGD P15428 6/20 0.43
HSD17B10 Q99714 5/20 0.43
LMNA P02545 4/20 0.43
TSHR P16473 2/20 0.43
BRD4 O60885 1/20 0.43
HTT P42858 1/20 0.43
CYP2J2 P51589 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
TOP1 P11387 3/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 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
SCHEMBL7489676 0.90 ALDH1A1 (0.47) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL7845387 0.87 ALDH1A1 (0.46) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL7846325 0.84 ALDH1A1 (0.44) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL7491803 0.84 ALDH1A1 (0.44) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL7608728 0.83 KMT2A (0.38) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL27976888 0.77 ALDH1A1 (0.41) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL3812812 0.77 ALDH1A1 (0.43) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL9381103 0.77 LMNA (0.50) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL499644 0.76 ALDH1A1 (0.68) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL501895 0.76 DRD3 (0.68) ALDH1A1DRD3KDM4EHPGDHSD17B10

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
US-6432948-B1 ANTIULCER AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2002-08-13 US disclosed
EP-0946176-B1 THE USE OF 7-(2-OXA-5,8-DIAZABICYCLO 4.3.0]NON-8-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDON CARBOXYLIC ACID DERIVATIVES FOR MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF HELICOBACTER PYLORI INFECTIONS AND ASSOCIATED GASTRODUODENAL DISEASES BAYER AG (DE) 2002-03-27 EP disclosed
US-6133260-A Use of 7-(2-oxa-5,8-diazabicyclo[4.3.0]non-8-yl)-quinolone carboxylic acid and naphthyridon carboxylic acid derivatives for the treatment of Helicobacter pylori infections and associated gastroduodenal diseases BAYER AKTIENGESELLSCHAFT (DE) 2000-10-17 US disclosed