SCHEMBL7572786

SCHEMBL7572786

C[C@H]1COc2c(N3CC4CCOC4(CNC(=O)OC(C)(C)C)C3)c(F)cc3c(=O)c(OC(=O)O)cn1c23

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 2/20 0.44
ALB P02768 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
TUBB4A P04350 7/20 0.43
TUBB P07437 7/20 0.43
TUBA3C P0DPH7 7/20 0.43
TUBA1B P68363 7/20 0.43
TUBA4A P68366 7/20 0.43
TUBB4B P68371 7/20 0.43
TUBB3 Q13509 7/20 0.43
TUBB2A Q13885 7/20 0.43
TUBB8 Q3ZCM7 7/20 0.43
TUBA3E Q6PEY2 7/20 0.43
TUBA1A Q71U36 7/20 0.43
TUBA1C Q9BQE3 7/20 0.43
TUBB6 Q9BUF5 7/20 0.43
TUBB2B Q9BVA1 7/20 0.43

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
SCHEMBL9274990 1.00 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL7572780 0.92 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL7847243 0.92 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL7494369 0.87 KCNH2 (0.37) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL7496654 0.87 KCNH2 (0.37) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL7501610 0.87 KCNH2 (0.37) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL7494507 0.87 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10ALB
Hydrochloric Acid SCHEMBL9272613 0.86 AADAT (0.49) KDM4EALDH1A1HPGDHSD17B10ALB
Hydrochloric Acid SCHEMBL7570144 0.86 AADAT (0.49) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9209492 0.85 CYP3A4 (0.31)

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-0944385-A2 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 $i(HELICOBACTER PYLORI) INFECTIONS AND THE GASTRODUODENAL DISEASES ASSOCIATED THEREWITH BAYER AG (DE) 1999-09-29 EP disclosed
WO-1998026768-A2 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 AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed