SCHEMBL8740981

SCHEMBL8740981

CCO/C=C(\C(=O)OCC)C(=O)c1c(F)cc(Cl)c(F)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
NPSR1 Q6W5P4 6/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.34
GPR35 Q9HC97 2/20 0.33
KDM4E B2RXH2 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 2/20 0.32
ABCB1 P08183 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
MAPK1 P28482 1/20 0.32
GLO1 Q04760 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RECQL P46063 1/20 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
SCHEMBL6215109 1.00 MAPT (0.37) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL8741044 0.88
SCHEMBL8741045 0.88
SCHEMBL8740982 0.86 NPSR1 (0.38) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL9671817 0.85 MAPT (0.39) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL9562385 0.84 HPGD (0.37) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL9211514 0.84 HPGD (0.37) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL5504512 0.84 MAPT (0.40) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL9584777 0.84 MAPT (0.40) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL5504513 0.84 MAPT (0.40) MAPTNPSR1MEN1KMT2ALMNA

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