SCHEMBL7823722

SCHEMBL7823722

CCCCC(C(=O)O)=C(Nc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 6/20 0.50
NPSR1 Q6W5P4 1/20 0.50
EPHX1 P07099 3/20 0.49
HTT P42858 1/20 0.49
ICMT O60725 1/20 0.48
ALB P02768 1/20 0.48
SOAT2 O75908 1/20 0.48
SOAT1 P35610 1/20 0.48
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HDAC3 O15379 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44

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
SCHEMBL7835265 0.83 RAB9A (0.56) MEN1GAAKMT2AALDH1A1HTT
SCHEMBL7766895 0.83 GAA (0.50) MEN1GAAKMT2AALDH1A1NPSR1
SCHEMBL7836111 0.82 MEN1 (0.56) MEN1GAAKMT2AALDH1A1MAPT
SCHEMBL8328885 0.81 RAB9A (0.54) ALDH1A1MAPTHPGDCYP2C19SMN1; SMN2
SCHEMBL8328906 0.81 KMT2A (0.44) MEN1GAAKMT2AALDH1A1HTT
SCHEMBL7766898 0.79 GAA (0.50) MEN1GAAKMT2AALDH1A1NPSR1
SCHEMBL8410081 0.78 ALDH1A1 (0.47) MEN1GAAKMT2AALDH1A1NPSR1
SCHEMBL8410078 0.78 ALDH1A1 (0.47) MEN1GAAKMT2AALDH1A1NPSR1
SCHEMBL2183716 0.78 ALDH1A1 (0.76) ALDH1A1ICMTALBSOAT2SOAT1
SCHEMBL11660177 0.76 ALDH1A1 (0.73) ALDH1A1ICMTALBSOAT2SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0498723-B1 Nitrogen containing bicycle compounds, method for their preparation, their use as pharmaceutical and compositions containing them AVENTIS PHARMA SA (FR) 2001-09-19 EP disclosed
EP-0498721-B1 N-substituted quinoline derivatives, process for their preparation, their use as pharmaceuticals and pharmaceutical compositions containing them HOECHST MARION ROUSSEL INC (FR) 1999-12-22 EP disclosed
EP-0498722-B1 Bicyclic nitrogen compounds, their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1997-07-30 EP disclosed
EP-0498723-A1 Nitrogen containing bicycle compounds, method for their preparation, their use as pharmaceutical and compositions containing them ROUSSEL UCLAF (FR) 1992-08-12 EP disclosed
EP-0498722-A1 Bicyclic nitrogen compounds, their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1992-08-12 EP disclosed
EP-0498721-A1 N-substituted quinoline derivatives, process for their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1992-08-12 EP disclosed