SCHEMBL7825477

SCHEMBL7825477

N#CC(CCC(=O)O)(CC(=O)O)c1ccc(F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.38
ALDH1A1 P00352 1/20 0.35
ESR1 P03372 1/20 0.35
CYP3A4 P08684 1/20 0.35
ESR2 Q92731 1/20 0.35
MIF P14174 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
CHEK1 O14757 1/20 0.33
FYN P06241 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 1/20 0.33
FGFR1 P11362 1/20 0.33
FLT1 P17948 1/20 0.33
GRK5 P34947 1/20 0.33
MAP2K2 P36507 1/20 0.33
MAPK8 P45983 1/20 0.33
CDK8 P49336 1/20 0.33
RPS6KA3 P51812 1/20 0.33
PRKX P51817 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL7749384 0.93 KCNN4 (0.41) KCNN4ALDH1A1ESR1CYP3A4ESR2
SCHEMBL7752049 0.87 CASP1 (0.34) KCNN4ALDH1A1ESR1CYP3A4ESR2
SCHEMBL7744793 0.83 HSD17B10 (0.38) KCNN4ALDH1A1ESR1CYP3A4ESR2
SCHEMBL7744784 0.81 SMN1; SMN2 (0.34) KCNN4ALDH1A1ESR1CYP3A4ESR2
SCHEMBL8121805 0.81 KCNN4 (0.33) KCNN4ALDH1A1ESR1CYP3A4ESR2
SCHEMBL11095066 0.81 MAOA (0.37) ALDH1A1ESR1CYP3A4ESR2MIF
SCHEMBL7749391 0.81 MIF (0.37) ALDH1A1ESR1CYP3A4ESR2MIF
SCHEMBL11823228 0.80 KCNN4 (0.33) KCNN4ALDH1A1ESR1CYP3A4ESR2
SCHEMBL7749357 0.80 MAPT (0.35) KCNN4ALDH1A1ESR1CYP3A4ESR2
SCHEMBL7752046 0.79 RORC (0.36) KCNN4ALDH1A1CYP3A4HSD17B10CASP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888304-B1 SUBSTITUTED 3-ARYL-3-CARBOXYALKYL GLUTARAMIDES, METHOD FOR PREPARING SAME BY 4-ARYLO-4-CYANOHEPTANE DICARBOXYLIC ACID CYCLISATION, AND USE THEREOF FOR PREPARING 3-ARYL-3-HYDROXYALKYLPIPERIDINES SANOFI SYNTHELABO (FR) 2001-10-04 EP disclosed
EP-0888304-A1 SUBSTITUTED 3-ARYL-3-CARBOXYALKYL GLUTARAMIDES, METHOD FOR PREPARING SAME BY 4-ARYLO-4-CYANOHEPTANE DICARBOXYLIC ACID CYCLISATION, AND USE THEREOF FOR PREPARING 3-ARYL-3-HYDROXYALKYLPIPERIDINES SANOFI (FR) 1999-01-07 EP disclosed
WO-1997032852-A1 SUBSTITUTED 3-ARYL-3-CARBOXYALKYL GLUTARAMIDES, METHOD FOR PREPARING SAME BY 4-ARYLO-4-CYANOHEPTANE DICARBOXYLIC ACID CYCLISATION, AND USE THEREOF FOR PREPARING 3-ARYL-3-HYDROXYALKYLPIPERIDINES SANOFI (FR) 1997-09-12 WO disclosed