SCHEMBL8117657

SCHEMBL8117657

CCOC=C(C(=O)OCC)C(=O)c1c(F)c(F)c(F)c(F)c1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.38
MAPT P10636 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GLO1 Q04760 1/20 0.36
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 3/20 0.32
DHODH Q02127 2/20 0.32

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
SCHEMBL8117656 1.00 NPSR1 (0.38) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL12131055 0.90 NPSR1 (0.43) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL7173250 0.90 NPSR1 (0.43) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL6216053 0.90 NPSR1 (0.43) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL8117659 0.86 NPSR1 (0.40) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL8102791 0.86 NPSR1 (0.40) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL8102793 0.86 NPSR1 (0.40) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL9135965 0.83 NPSR1 (0.38) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL9135967 0.83 NPSR1 (0.38) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL10441067 0.82 NPSR1 (0.34) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565132-B1 Benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 2000-10-25 EP disclosed
CN-1053666-C Benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 2000-06-21 CN disclosed
EP-0823413-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed
US-5591744-A 1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLATE DERIVATIVES; MICROBIOCIDES OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-01-07 US disclosed
EP-0287951-B1 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMA CO LTD (JP) 1996-07-03 EP disclosed
US-5495020-A CHEMICAL INTERMEDIATE FOR BACTERICIDES, MICROBIOCIDES, DISINFECTANTS; SIDE EFFECT REDUCTION, ABSORPTION OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-02-27 US disclosed
EP-0565132-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-10-13 EP disclosed
CN-1030237-A BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1989-01-11 CN disclosed
EP-0287951-A2 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-10-26 EP disclosed