SCHEMBL8741019

SCHEMBL8741019

CCC=C(C(=O)OCC)C(=O)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.44
MAPT P10636 6/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
LMNA P02545 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
GLO1 Q04760 1/20 0.42
CYP2D6 P10635 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 2/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
GAA P10253 3/20 0.36
DHODH Q02127 2/20 0.36

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
SCHEMBL8102795 0.92 NPSR1 (0.41) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL8117659 0.91 NPSR1 (0.40) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL9135970 0.90 NPSR1 (0.39) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL9134085 0.83 MAPT (0.39) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL7173250 0.82 NPSR1 (0.43) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL12131055 0.82 NPSR1 (0.43) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL6216053 0.82 NPSR1 (0.43) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL5504515 0.81 MAPT (0.40) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL8110603 0.81 MAPT (0.38) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL4567537 0.81 CYP2C9 (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607942-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
US-5416096-A 7-(1-pyrrolidinyl)-3-quinolone carboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-05-16 US disclosed
US-5059597-A Animal growth regulators; enterobacter BAYER AKTIENGESELLSCHAFT (DE) 1991-10-22 US disclosed
US-4990517-A 7-(1-pyrrolidinyl)-3-quinolone- and -naphthyridonecarboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed