SCHEMBL7230794

SCHEMBL7230794

C=C(CC1NCCN1)CN1CCCC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
STAT6 P42226 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BIRC2 Q13490 1/20 0.30

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
SCHEMBL7230379 0.98 GAA (0.34) GAAALDH1A1STAT6SMN1; SMN2
SCHEMBL7225316 0.87 SIGMAR1 (0.36) ALDH1A1STAT6SMN1; SMN2
SCHEMBL7224033 0.84 KDM4E (0.39) ALDH1A1SMN1; SMN2
SCHEMBL7229667 0.77 GAA (0.32) GAAALDH1A1SMN1; SMN2BIRC2
SCHEMBL7223828 0.76
SCHEMBL7228369 0.73 ALDH1A1 (0.46) GAAALDH1A1STAT6SMN1; SMN2
SCHEMBL7221817 0.71 GAA (0.48) GAAALDH1A1STAT6SMN1; SMN2
SCHEMBL7222432 0.71 GAA (0.48) GAAALDH1A1STAT6SMN1; SMN2
SCHEMBL7694509 0.71 CHRM5 (0.44) GAAALDH1A1STAT6SMN1; SMN2
SCHEMBL7222004 0.69 SIGMAR1 (0.43) GAAALDH1A1STAT6SMN1; SMN2

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