SCHEMBL7811246

SCHEMBL7811246

CCOC(=O)CC(=O)c1c(F)c(OC(F)F)c(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
LMNA P02545 4/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
FBP1 P09467 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 2/20 0.31
MITF O75030 2/20 0.30
GALR2 O43603 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HPGD P15428 1/20 0.30
XBP1 P17861 1/20 0.30
CCR6 P51684 1/20 0.30

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
SCHEMBL3189044 0.85 MAPT (0.40) MAPTLMNAKDM4EALDH1A1MEN1
SCHEMBL4671913 0.82 MAPT (0.42) MAPTLMNAKDM4EALDH1A1MEN1
SCHEMBL7004770 0.80 MAPT (0.37) MAPTLMNAKDM4EALDH1A1MEN1
SCHEMBL7810981 0.79 MAPT (0.32) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL7009937 0.79 ALDH1A1 (0.40) MAPTLMNAKDM4EALDH1A1MEN1
SCHEMBL7804307 0.76 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL7810979 0.76 MAPT (0.31) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL7810974 0.76 MAPT (0.31) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL7804020 0.75 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL9049112 0.75 ALDH1A1 (0.38) MAPTLMNAKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610958-B1 Intermediates in the preparation of 4-oxoquinoline-3-carboxylic acid derivatives UBE INDUSTRIES (JP) 2001-10-04 EP disclosed
US-5496951-A 1-CYCLOPROPYL-6-FLUORO-8-FLUORINATED METHOXY COMPOUNDS INCLUDING BORON DIFLUORIDE CHELATE; CHEMICAL INTERMEDIATES AND ANTIBACTERIAL AGENTS SANKYO COMPANY, LIMITED (JP) 1996-03-05 US disclosed
US-5436367-A 3, 4-difluorobenzoic acid derivatives SANKO COMPANY, LIMITED (JP) 1995-07-25 US disclosed
EP-0352123-B1 4-Oxoquinoline-3-carboxylic acid derivatives, their preparation and their use UBE INDUSTRIES (JP) 1995-01-18 EP disclosed
US-5348961-A Antibacterial agents SANKYO COMPANY LIMITED (JP) 1994-09-20 US disclosed
EP-0610958-A2 Intermediates in the preparation of 4-oxoquinoline-3-carboxylic acid derivatives UBE INDUSTRIES, LTD. (JP) 1994-08-17 EP disclosed
US-5073556-A Bactericides SANKYO COMPANY LIMITED (JP) 1991-12-17 US disclosed
EP-0352123-A2 4-Oxoquinoline-3-carboxylic acid derivatives, their preparation and their use UBE INDUSTRIES LIMITED (JP) 1990-01-24 EP disclosed