SCHEMBL7803971

SCHEMBL7803971

CCOC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(F)c(OC(F)F)c1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
NPSR1 Q6W5P4 3/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
DHODH Q02127 3/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7803969 1.00 P2RX7 (0.35) P2RX7NPSR1MAPTMEN1KMT2A
SCHEMBL9149987 0.89 MAPT (0.35) P2RX7NPSR1MAPTMEN1KMT2A
SCHEMBL6221696 0.89 MAPT (0.35) P2RX7NPSR1MAPTMEN1KMT2A
SCHEMBL6481381 0.89 MAPT (0.35) P2RX7NPSR1MAPTMEN1KMT2A
SCHEMBL8732212 0.86 MAPT (0.34) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL8732215 0.86 MAPT (0.34) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL7049477 0.86 NPSR1 (0.36) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL10400402 0.86 NPSR1 (0.36) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL9562430 0.86 NPSR1 (0.36) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL8775494 0.85 MAPT (0.36) NPSR1MAPTMEN1KMT2ALMNA

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