SCHEMBL9800451

SCHEMBL9800451

CCC(C(=O)OC(C(=O)N1CCCC1)C(C)C)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 3/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CHRM1 P11229 5/20 0.46
KCNQ2 O43526 3/20 0.46
KCNQ3 O43525 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
KCNQ4 P56696 1/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL9800488 0.83 GAA (0.55) GAAKDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL9800495 0.78 GAA (0.52) GAAKDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL2290954 0.75 CRHBP (0.53) GAAKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL9910968 0.74 KCNQ2 (0.56) GAAKDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL30532627 0.72 GAA (0.51) GAAKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL3596195 0.72 CHRM1 (0.55) GAAKDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL9800450 0.72 FAAH (0.53) ALDH1A1SMN1; SMN2
SCHEMBL13324880 0.72 L3MBTL1 (0.51) GAAKDM4EALDH1A1TSHRLMNA
SCHEMBL27644882 0.71 CRHBP (0.49) GAAKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL13149986 0.70 GAA (0.66) GAAKDM4EALDH1A1TSHRLMNA

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-0224272-B1 PYRROLIDINYLAMIDE ESTER DERIVATIVE HAVING ANTI-PROLYL ENDOPEPTIDASE ACTIVITY, ITS SYNTHESIS AND USE AND A PHARMACEUTICAL COMPOSITION CONTAINING IT SUNTORY LIMITED (JP) 1991-02-06 EP disclosed
US-4757083-A Enzyme inhibitors SUNTORY LIMITED (JP) 1988-07-12 US disclosed
EP-0224272-A1 Pyrrolidinylamide ester derivative having anti-prolyl endopeptidase activity, its synthesis and use and a pharmaceutical composition containing it SUNTORY LIMITED (JP) 1987-06-03 EP disclosed