SCHEMBL10697150

SCHEMBL10697150

NC(=O)OC1CCCN(CCOc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 2/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
HRH3 Q9Y5N1 2/20 0.55
LTA4H P09960 1/20 0.53
MEN1 O00255 1/20 0.49
HTR1A P08908 1/20 0.49
HTR7 P34969 1/20 0.49
POLB P06746 1/20 0.44
DRD2 P14416 2/20 0.44
EPHX2 P34913 1/20 0.43

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
Oxalic Acid SCHEMBL10695599 0.98 KDM4E (0.59) KDM4EKMT2AGAAALDH1A1LMNA
SCHEMBL10690170 0.95 KMT2A (0.50) KDM4EKMT2AGAAALDH1A1LMNA
SCHEMBL10692724 0.94 HRH3 (0.49) KDM4EKMT2AGAAALDH1A1LMNA
SCHEMBL10692369 0.86 KMT2A (0.53) KDM4EKMT2AGAAALDH1A1LMNA
SCHEMBL10695808 0.79 KDM4E (0.48) KDM4EKMT2AGAAALDH1A1LMNA
SCHEMBL10696993 0.78 KDM4E (0.54) KDM4EGAAALDH1A1LMNAHRH3
SCHEMBL14970473 0.77 LTA4H (0.81) KDM4EKMT2AGAAALDH1A1LMNA
SCHEMBL11244902 0.77 LTA4H (0.81) KDM4EKMT2AGAAALDH1A1LMNA
SCHEMBL10695529 0.76 HRH3 (0.55) KDM4EALDH1A1LMNAHRH3
Hydrochloric Acid SCHEMBL14969107 0.75 LTA4H (0.79) KDM4EKMT2AGAAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252876-A1 Hydrogenated 1-phenoxyalkylpyridine-3-carboxylic-acid compounds CIBA-GEIGY AG (CH) 1988-01-13 EP disclosed