SCHEMBL7221817

SCHEMBL7221817

C=C(CN1CCCCC1)CN1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
STAT6 P42226 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH3 Q9Y5N1 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.37
MGLL Q99685 2/20 0.36
PHGDH O43175 1/20 0.36
ALDH2 P05091 1/20 0.36
FBP1 P09467 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2C P18825 1/20 0.35
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL7222432 1.00 GAA (0.48) GAAALDH1A1SMN1; SMN2STAT6MEN1
SCHEMBL7228369 0.97 ALDH1A1 (0.46) GAAALDH1A1SMN1; SMN2STAT6MEN1
SCHEMBL7229389 0.86 KDM4E (0.47) GAAALDH1A1SMN1; SMN2HRH3MGLL
SCHEMBL7222004 0.86 SIGMAR1 (0.43) GAAALDH1A1SMN1; SMN2STAT6MEN1
SCHEMBL7234008 0.83 KDM4E (0.48) GAAALDH1A1SMN1; SMN2STAT6HRH3
SCHEMBL7694509 0.83 CHRM5 (0.44) GAAALDH1A1SMN1; SMN2STAT6MEN1
SCHEMBL9562409 0.81 ALDH1A1 (0.39) GAAALDH1A1SMN1; SMN2STAT6MEN1
SCHEMBL7230380 0.81 SIGMAR1 (0.37) GAAALDH1A1SMN1; SMN2STAT6MEN1
SCHEMBL7287324 0.80 GAA (0.46) GAAALDH1A1SMN1; SMN2STAT6MEN1
SCHEMBL10528030 0.80 GAA (0.46) GAAALDH1A1SMN1; SMN2STAT6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552226-B1 Rapid; low temperature; one pot synthesis; reduced catalytic quantities of such as lewis acid and tertiary amine; entiomerically pure products THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-04-22 US disclosed
WO-2002026683-A1 TANDEM ACYL-CLAISEN REARRANGEMENT IN THE PREPARATION OF CHIRAL PRODUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-04-04 WO disclosed