SCHEMBL9439766

SCHEMBL9439766

O=C(O)N[C@@H](CC1CCCCC1)[C@H](O)CN1CCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.38
REN P00797 3/20 0.37
RCE1 Q9Y256 1/20 0.37
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.35
PER2 O15055 1/20 0.35
LMNA P02545 1/20 0.35
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
PSEN1 P49768 1/20 0.35

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
SCHEMBL7295178 1.00 PIK3CD (0.39) PIK3CDTSHRGAAKDM4EALDH1A1
SCHEMBL7304819 0.79 MEN1 (0.37) SMN1; SMN2KMT2ARENHTTPSEN1
SCHEMBL7294726 0.78 PIK3CD (0.44) PIK3CDTSHRGAAKMT2AREN
SCHEMBL7295043 0.78 GAA (0.37) PIK3CDTSHRGAAKDM4EALDH1A1
SCHEMBL9439337 0.78 GAA (0.37) PIK3CDTSHRGAAKDM4EALDH1A1
SCHEMBL969137 0.74 GRN (0.40) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL967760 0.74 GRN (0.40) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL3347419 0.74 PSEN1 (0.39) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL970762 0.74 GRN (0.40) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL968972 0.73 CYP2D6 (0.42) ALDH1A1RENPSEN1PSEN2APH1B

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
US-5278148-A Hypotensive agents HOFFMANN-LA ROCHE INC. (US) 1994-01-11 US disclosed