SCHEMBL7005186

SCHEMBL7005186

CCOC(=O)CC(=O)c1c(F)cc(F)c(F)c1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
BRD4 O60885 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN1 P18031 1/20 0.39
LTA4H P09960 2/20 0.39
PPID Q08752 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7012029 0.87 TP53 (0.43) LMNAHPGDKDM4EALDH1A1NR1H4
SCHEMBL9261508 0.84 MRGPRX4 (0.43) LMNAHPGDKDM4EALDH1A1NR1H4
SCHEMBL9263418 0.77 ALDH1A1 (0.44) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL1349347 0.77 MGAM (0.47) LMNAHPGDKDM4EALDH1A1MAPT
SCHEMBL9500955 0.76 TSPO (0.43) LMNAKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL5502158 0.76 MEN1 (0.43) LMNAHPGDKDM4EALDH1A1MAPT
SCHEMBL13014916 0.75 L3MBTL1 (0.50) LMNAHPGDKDM4EALDH1A1NR1H4
SCHEMBL9046771 0.73 KDM4E (0.41) LMNAHPGDKDM4EALDH1A1MAPT
SCHEMBL27564853 0.73 MEN1 (0.60) LMNAKDM4EALDH1A1NR1H4L3MBTL1
SCHEMBL6483625 0.72 SMN1; SMN2 (0.55) HPGDKDM4EALDH1A1BRD4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787720-B1 PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KK (JP) 2003-07-16 EP disclosed
US-5910498-A NOVEL COMPOUNDS HAVING REDUCED CYTOTOXICITY, PHOTOTOXICITY; TREATING BACTERIAL AND VIRAL INFECTIONS WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1999-06-08 US disclosed
EP-0787720-A1 NOVEL PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-06 EP disclosed
EP-0700912-A1 QUINOLONE DERIVATIVE OR SALT THEREOF, AND ANTIBACTERIAL CONTAINING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1996-03-13 EP disclosed