SCHEMBL8741102

SCHEMBL8741102

CCOC(=O)/C(=C\NC1CC1)C(=O)c1c(F)cc(Cl)c(F)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
POLB P06746 2/20 0.37
HPGD P15428 2/20 0.36
MAPT P10636 5/20 0.35
KDM4E B2RXH2 6/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 5/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RECQL P46063 1/20 0.33
DHODH Q02127 1/20 0.33
GPR35 Q9HC97 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
SCHEMBL6215085 1.00 GAA (0.38) GAAPOLBHPGDMAPTKDM4E
SCHEMBL8436285 0.87 MAPT (0.36) GAAPOLBHPGDMAPTKDM4E
SCHEMBL8436286 0.87 MAPT (0.36) GAAPOLBHPGDMAPTKDM4E
SCHEMBL5704364 0.87 ALDH1A1 (0.35) GAAPOLBMAPTSMN1; SMN2NPSR1
SCHEMBL5704365 0.87 ALDH1A1 (0.35) GAAPOLBMAPTSMN1; SMN2NPSR1
SCHEMBL5505216 0.86 POLB (0.37) GAAPOLBHPGDMAPTKDM4E
SCHEMBL5505218 0.86 POLB (0.37) GAAPOLBHPGDMAPTKDM4E
SCHEMBL9134697 0.85 NPSR1 (0.34) GAAPOLBMAPTSMN1; SMN2NPSR1
SCHEMBL9134690 0.85 NPSR1 (0.34) GAAPOLBMAPTSMN1; SMN2NPSR1
SCHEMBL5256942 0.84 GAA (0.48) GAAPOLBHPGDMAPTKDM4E

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